(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol

C254H394N4O120 — CID 137022309

IUPAC(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol
SMILESCOC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COc1ccc(-c2c4nc(c(-c5ccc(OC[C@H]6O[C@@H]7O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@H]7OC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)O[C@@H]8COC)cc5)c5ccc([nH]5)c(-c5ccc(OC[C@H]6O[C@@H]7O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@H]7OC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)O[C@@H]8COC)cc5)c5nc(c(-c6ccc(OC[C@H]7O[C@@H]8O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%13[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@H]8OC)O[C@@H]%13COC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)cc6)c6ccc2[nH]6)C=C5)C=C4)cc1)O[C@@H]3COC
InChIInChI=1S/C254H394N4O120/c1-261-91-131-161-159(259)160(260)231(331-131)356-162-132(92-262-2)333-247(209(305-45)185(162)281-21)375-181-151(351-251(227(323-63)204(181)300-40)371-177-147(107-277-17)344-243(220(316-56)200(177)296-36)364-164-134(94-264-4)334-233(210(306-46)187(164)283-23)357-163-133(93-263-3)332-232(355-161)208(304-44)186(163)282-22)111-327-119-75-67-115(68-76-119)155-123-83-85-125(255-123)156(116-69-77-120(78-70-116)328-112-152-182-205(301-41)228(324-64)252(352-152)372-178-148(108-278-18)345-244(221(317-57)201(178)297-37)365-171-141(101-271-11)338-237(214(310-50)194(171)290-30)358-165-135(95-265-5)335-234(211(307-47)188(165)284-24)361-168-138(98-268-8)341-240(217(313-53)191(168)287-27)368-174-144(104-274-14)348-248(376-182)224(320-60)197(174)293-33)127-87-89-129(257-127)158(118-73-81-122(82-74-118)330-114-154-184-207(303-43)230(326-66)254(354-154)374-180-150(110-280-20)347-246(223(319-59)203(180)299-39)367-173-143(103-273-13)340-239(216(312-52)196(173)292-32)360-167-137(97-267-7)337-236(213(309-49)190(167)286-26)363-170-140(100-270-10)343-242(219(315-55)193(170)289-29)370-176-146(106-276-16)350-250(378-184)226(322-62)199(176)295-35)130-90-88-128(258-130)157(126-86-84-124(155)256-126)117-71-79-121(80-72-117)329-113-153-183-206(302-42)229(325-65)253(353-153)373-179-149(109-279-19)346-245(222(318-58)202(179)298-38)366-172-142(102-272-12)339-238(215(311-51)195(172)291-31)359-166-136(96-266-6)336-235(212(308-48)189(166)285-25)362-169-139(99-269-9)342-241(218(314-54)192(169)288-28)369-175-145(105-275-15)349-249(377-183)225(321-61)198(175)294-34/h67-90,131-154,159-255,258-260H,91-114H2,1-66H3/b155-123-,155-124-,156-125-,156-127-,157-126-,157-128-,158-129-,158-130-/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-/m1/s1
InChIKeyNYYPKJQWWGIYDO-LXGMWTAYSA-N
MW5423.85 g/mol
LogP3.88
Rot. Bonds102

About (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol

(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol (PubChem CID 137022309) has the molecular formula C254H394N4O120 and a molecular weight of 5423.85 g/mol. Its IUPAC name is (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol.

Molecular Properties

Compound Name(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol
PubChem CID137022309
Molecular FormulaC254H394N4O120
Molecular Weight5423.85 g/mol
Exact Mass5420.49
IUPAC Name(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol
SMILESCOC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COc1ccc(-c2c4nc(c(-c5ccc(OC[C@H]6O[C@@H]7O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@H]7OC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)O[C@@H]8COC)cc5)c5ccc([nH]5)c(-c5ccc(OC[C@H]6O[C@@H]7O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@H]7OC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)O[C@@H]8COC)cc5)c5nc(c(-c6ccc(OC[C@H]7O[C@@H]8O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%13[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@H]8OC)O[C@@H]%13COC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)cc6)c6ccc2[nH]6)C=C5)C=C4)cc1)O[C@@H]3COC
InChIInChI=1S/C254H394N4O120/c1-261-91-131-161-159(259)160(260)231(331-131)356-162-132(92-262-2)333-247(209(305-45)185(162)281-21)375-181-151(351-251(227(323-63)204(181)300-40)371-177-147(107-277-17)344-243(220(316-56)200(177)296-36)364-164-134(94-264-4)334-233(210(306-46)187(164)283-23)357-163-133(93-263-3)332-232(355-161)208(304-44)186(163)282-22)111-327-119-75-67-115(68-76-119)155-123-83-85-125(255-123)156(116-69-77-120(78-70-116)328-112-152-182-205(301-41)228(324-64)252(352-152)372-178-148(108-278-18)345-244(221(317-57)201(178)297-37)365-171-141(101-271-11)338-237(214(310-50)194(171)290-30)358-165-135(95-265-5)335-234(211(307-47)188(165)284-24)361-168-138(98-268-8)341-240(217(313-53)191(168)287-27)368-174-144(104-274-14)348-248(376-182)224(320-60)197(174)293-33)127-87-89-129(257-127)158(118-73-81-122(82-74-118)330-114-154-184-207(303-43)230(326-66)254(354-154)374-180-150(110-280-20)347-246(223(319-59)203(180)299-39)367-173-143(103-273-13)340-239(216(312-52)196(173)292-32)360-167-137(97-267-7)337-236(213(309-49)190(167)286-26)363-170-140(100-270-10)343-242(219(315-55)193(170)289-29)370-176-146(106-276-16)350-250(378-184)226(322-62)199(176)295-35)130-90-88-128(258-130)157(126-86-84-124(155)256-126)117-71-79-121(80-72-117)329-113-153-183-206(302-42)229(325-65)253(353-153)373-179-149(109-279-19)346-245(222(318-58)202(179)298-38)366-172-142(102-272-12)339-238(215(311-51)195(172)291-31)359-166-136(96-266-6)336-235(212(308-48)189(166)285-25)362-169-139(99-269-9)342-241(218(314-54)192(169)288-28)369-175-145(105-275-15)349-249(377-183)225(321-61)198(175)294-34/h67-90,131-154,159-255,258-260H,91-114H2,1-66H3/b155-123-,155-124-,156-125-,156-127-,157-126-,157-128-,158-129-,158-130-/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-/m1/s1
InChIKeyNYYPKJQWWGIYDO-LXGMWTAYSA-N
XLogP3.88
TPSA1186.96 Ų
H-Bond Donors4
H-Bond Acceptors122
Rotatable Bonds102
Heavy Atoms378
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005423.85
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 10122

Analyze (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol with MolForge

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Related Compounds

(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-30-(hydroxymethyl)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,20,25-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol
CID 102101442
(1R,3R,6R,8S,11R,13R,16R,18R,21R,23R,26R,28R,31R,33R,36S,38S,40S,42S,44S,46S,48S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 133126616
[(1R,3R,5S,6R,8R,10S,11R,13R,15S,16R,18R,20S,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38S,39S,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-10,20,25,35-tetrakis(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-15,30-bis[(4-prop-2-enoxyphenoxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methanol
CID 21456196
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[4-[10,15,20-tris[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 136722672
5,10,15-tris(4-methylphenyl)-20-[4-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethoxy)phenyl]-21,23-dihydroporphyrin
CID 136913274
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[10,15,20-tris[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 101145949
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 136674025
1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]-4-[[4-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazole
CID 177444596
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
CID 135510536
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,38R,40R,41S,42R,43S,44R,45S,46R,47R,48S,49S,50S,51S,52R,53R,54S,55S,56R)-40-(hydroxymethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methanol
CID 15966972

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol?
The IUPAC name of (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol (CID 137022309) is (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol.
What is the SMILES notation for (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol?
The canonical SMILES for (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol is COC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COc1ccc(-c2c4nc(c(-c5ccc(OC[C@H]6O[C@@H]7O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@H]7OC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)O[C@@H]8COC)cc5)c5ccc([nH]5)c(-c5ccc(OC[C@H]6O[C@@H]7O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@H]7OC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)O[C@@H]8COC)cc5)c5nc(c(-c6ccc(OC[C@H]7O[C@@H]8O[C@H]9[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%10[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%11[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%12[C@H](OC)[C@@H](OC)[C@@H](O[C@H]%13[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@H]8OC)O[C@@H]%13COC)O[C@@H]%12COC)O[C@@H]%11COC)O[C@@H]%10COC)O[C@@H]9COC)cc6)c6ccc2[nH]6)C=C5)C=C4)cc1)O[C@@H]3COC.
What is the InChIKey of (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol?
The InChIKey is NYYPKJQWWGIYDO-LXGMWTAYSA-N. The full InChI is InChI=1S/C254H394N4O120/c1-261-91-131-161-159(259)160(260)231(331-131)356-162-132(92-262-2)333-247(209(305-45)185(162)281-21)375-181-151(351-251(227(323-63)204(181)300-40)371-177-147(107-277-17)344-243(220(316-56)200(177)296-36)364-164-134(94-264-4)334-233(210(306-46)187(164)283-23)357-163-133(93-263-3)332-232(355-161)208(304-44)186(163)282-22)111-327-119-75-67-115(68-76-119)155-123-83-85-125(255-123)156(116-69-77-120(78-70-116)328-112-152-182-205(301-41)228(324-64)252(352-152)372-178-148(108-278-18)345-244(221(317-57)201(178)297-37)365-171-141(101-271-11)338-237(214(310-50)194(171)290-30)358-165-135(95-265-5)335-234(211(307-47)188(165)284-24)361-168-138(98-268-8)341-240(217(313-53)191(168)287-27)368-174-144(104-274-14)348-248(376-182)224(320-60)197(174)293-33)127-87-89-129(257-127)158(118-73-81-122(82-74-118)330-114-154-184-207(303-43)230(326-66)254(354-154)374-180-150(110-280-20)347-246(223(319-59)203(180)299-39)367-173-143(103-273-13)340-239(216(312-52)196(173)292-32)360-167-137(97-267-7)337-236(213(309-49)190(167)286-26)363-170-140(100-270-10)343-242(219(315-55)193(170)289-29)370-176-146(106-276-16)350-250(378-184)226(322-62)199(176)295-35)130-90-88-128(258-130)157(126-86-84-124(155)256-126)117-71-79-121(80-72-117)329-113-153-183-206(302-42)229(325-65)253(353-153)373-179-149(109-279-19)346-245(222(318-58)202(179)298-38)366-172-142(102-272-12)339-238(215(311-51)195(172)291-31)359-166-136(96-266-6)336-235(212(308-48)189(166)285-25)362-169-139(99-269-9)342-241(218(314-54)192(169)288-28)369-175-145(105-275-15)349-249(377-183)225(321-61)198(175)294-34/h67-90,131-154,159-255,258-260H,91-114H2,1-66H3/b155-123-,155-124-,156-125-,156-127-,157-126-,157-128-,158-129-,158-130-/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-/m1/s1.
What are the key properties of (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol?
(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol has a molecular weight of 5423.85 g/mol, XLogP of 3.88, 102 rotatable bonds, 4 hydrogen bond donors, and 122 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-33,34,35,36,37,38,39,40,41,42-decamethoxy-5,10,15,25,30-pentakis(methoxymethyl)-20-[[4-[10,15,20-tris[4-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32-diol is sourced from PubChem (CID 137022309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).