butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol

C193H390O35S7Si7 — CID 123390165

IUPACbutane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol
SMILESCCCC.CCCCCCCCCCCCSCCCOC1C(O)C(O[C@H]2OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]3OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]4OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]5OC(CO[Si](C)(C)C(C)(C)C)C[C@H](O)C5OCCCSCCCCCCCCCCCC)[C@H](O)C4OCCCSCCCCCCCCCCCC)[C@H](O)C3OCCCSCCCCCCCCCCCC)[C@H](O)C2OCCCSCCCCCCCCCCCC)C(CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC1C(CO[Si](C)(C)C(C)(C)C)O[C@H](OC2C(CO[Si](C)(C)C(C)(C)C)O[C@H](O)C(OCCCSCCCCCCCCCCCC)[C@H]2O)C(OCCCSCCCCCCCCCCCC)[C@H]1O
InChIInChI=1S/C189H380O35S7Si7.C4H10/c1-43-50-57-64-71-78-85-92-99-106-127-225-134-113-120-198-163-150(190)141-149(142-205-232(29,30)183(8,9)10)212-177(163)219-165-152(144-207-234(33,34)185(14,15)16)214-179(171(158(165)192)200-122-115-136-227-129-108-101-94-87-80-73-66-59-52-45-3)221-167-154(146-209-236(37,38)187(20,21)22)216-181(173(160(167)194)202-124-117-138-229-131-110-103-96-89-82-75-68-61-54-47-5)223-169-156(148-211-238(41,42)189(26,27)28)218-182(175(162(169)196)204-126-119-140-231-133-112-105-98-91-84-77-70-63-56-49-7)224-168-155(147-210-237(39,40)188(23,24)25)217-180(174(161(168)195)203-125-118-139-230-132-111-104-97-90-83-76-69-62-55-48-6)222-166-153(145-208-235(35,36)186(17,18)19)215-178(172(159(166)193)201-123-116-137-228-130-109-102-95-88-81-74-67-60-53-46-4)220-164-151(143-206-233(31,32)184(11,12)13)213-176(197)170(157(164)191)199-121-114-135-226-128-107-100-93-86-79-72-65-58-51-44-2;1-3-4-2/h149-182,190-197H,43-148H2,1-42H3;3-4H2,1-2H3/t149?,150-,151?,152?,153?,154?,155?,156?,157-,158-,159-,160-,161?,162-,163?,164?,165?,166?,167?,168?,169?,170?,171?,172?,173?,174?,175?,176-,177+,178+,179+,180+,181+,182+;/m0./s1
InChIKeyWMGBEWQWHAWINO-UNQFWKLLSA-N
MW3692.28 g/mol
LogP50.25
Rot. Bonds146

About butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol

butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol (PubChem CID 123390165) has the molecular formula C193H390O35S7Si7 and a molecular weight of 3692.28 g/mol. Its IUPAC name is butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol.

Molecular Properties

Compound Namebutane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol
PubChem CID123390165
Molecular FormulaC193H390O35S7Si7
Molecular Weight3692.28 g/mol
Exact Mass3688.52
IUPAC Namebutane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol
SMILESCCCC.CCCCCCCCCCCCSCCCOC1C(O)C(O[C@H]2OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]3OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]4OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]5OC(CO[Si](C)(C)C(C)(C)C)C[C@H](O)C5OCCCSCCCCCCCCCCCC)[C@H](O)C4OCCCSCCCCCCCCCCCC)[C@H](O)C3OCCCSCCCCCCCCCCCC)[C@H](O)C2OCCCSCCCCCCCCCCCC)C(CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC1C(CO[Si](C)(C)C(C)(C)C)O[C@H](OC2C(CO[Si](C)(C)C(C)(C)C)O[C@H](O)C(OCCCSCCCCCCCCCCCC)[C@H]2O)C(OCCCSCCCCCCCCCCCC)[C@H]1O
InChIInChI=1S/C189H380O35S7Si7.C4H10/c1-43-50-57-64-71-78-85-92-99-106-127-225-134-113-120-198-163-150(190)141-149(142-205-232(29,30)183(8,9)10)212-177(163)219-165-152(144-207-234(33,34)185(14,15)16)214-179(171(158(165)192)200-122-115-136-227-129-108-101-94-87-80-73-66-59-52-45-3)221-167-154(146-209-236(37,38)187(20,21)22)216-181(173(160(167)194)202-124-117-138-229-131-110-103-96-89-82-75-68-61-54-47-5)223-169-156(148-211-238(41,42)189(26,27)28)218-182(175(162(169)196)204-126-119-140-231-133-112-105-98-91-84-77-70-63-56-49-7)224-168-155(147-210-237(39,40)188(23,24)25)217-180(174(161(168)195)203-125-118-139-230-132-111-104-97-90-83-76-69-62-55-48-6)222-166-153(145-208-235(35,36)186(17,18)19)215-178(172(159(166)193)201-123-116-137-228-130-109-102-95-88-81-74-67-60-53-46-4)220-164-151(143-206-233(31,32)184(11,12)13)213-176(197)170(157(164)191)199-121-114-135-226-128-107-100-93-86-79-72-65-58-51-44-2;1-3-4-2/h149-182,190-197H,43-148H2,1-42H3;3-4H2,1-2H3/t149?,150-,151?,152?,153?,154?,155?,156?,157-,158-,159-,160-,161?,162-,163?,164?,165?,166?,167?,168?,169?,170?,171?,172?,173?,174?,175?,176-,177+,178+,179+,180+,181+,182+;/m0./s1
InChIKeyWMGBEWQWHAWINO-UNQFWKLLSA-N
XLogP50.25
TPSA411.05 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds146
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003692.28
LogP ≤ 550.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol?
The IUPAC name of butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol (CID 123390165) is butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol.
What is the SMILES notation for butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol?
The canonical SMILES for butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol is CCCC.CCCCCCCCCCCCSCCCOC1C(O)C(O[C@H]2OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]3OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]4OC(CO[Si](C)(C)C(C)(C)C)C(O[C@H]5OC(CO[Si](C)(C)C(C)(C)C)C[C@H](O)C5OCCCSCCCCCCCCCCCC)[C@H](O)C4OCCCSCCCCCCCCCCCC)[C@H](O)C3OCCCSCCCCCCCCCCCC)[C@H](O)C2OCCCSCCCCCCCCCCCC)C(CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC1C(CO[Si](C)(C)C(C)(C)C)O[C@H](OC2C(CO[Si](C)(C)C(C)(C)C)O[C@H](O)C(OCCCSCCCCCCCCCCCC)[C@H]2O)C(OCCCSCCCCCCCCCCCC)[C@H]1O.
What is the InChIKey of butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol?
The InChIKey is WMGBEWQWHAWINO-UNQFWKLLSA-N. The full InChI is InChI=1S/C189H380O35S7Si7.C4H10/c1-43-50-57-64-71-78-85-92-99-106-127-225-134-113-120-198-163-150(190)141-149(142-205-232(29,30)183(8,9)10)212-177(163)219-165-152(144-207-234(33,34)185(14,15)16)214-179(171(158(165)192)200-122-115-136-227-129-108-101-94-87-80-73-66-59-52-45-3)221-167-154(146-209-236(37,38)187(20,21)22)216-181(173(160(167)194)202-124-117-138-229-131-110-103-96-89-82-75-68-61-54-47-5)223-169-156(148-211-238(41,42)189(26,27)28)218-182(175(162(169)196)204-126-119-140-231-133-112-105-98-91-84-77-70-63-56-49-7)224-168-155(147-210-237(39,40)188(23,24)25)217-180(174(161(168)195)203-125-118-139-230-132-111-104-97-90-83-76-69-62-55-48-6)222-166-153(145-208-235(35,36)186(17,18)19)215-178(172(159(166)193)201-123-116-137-228-130-109-102-95-88-81-74-67-60-53-46-4)220-164-151(143-206-233(31,32)184(11,12)13)213-176(197)170(157(164)191)199-121-114-135-226-128-107-100-93-86-79-72-65-58-51-44-2;1-3-4-2/h149-182,190-197H,43-148H2,1-42H3;3-4H2,1-2H3/t149?,150-,151?,152?,153?,154?,155?,156?,157-,158-,159-,160-,161?,162-,163?,164?,165?,166?,167?,168?,169?,170?,171?,172?,173?,174?,175?,176-,177+,178+,179+,180+,181+,182+;/m0./s1.
What are the key properties of butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol?
butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol has a molecular weight of 3692.28 g/mol, XLogP of 50.25, 146 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2S,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2R,4S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)-4-hydroxyoxan-2-yl]oxy-3-(3-dodecylsulfanylpropoxy)oxane-2,4-diol is sourced from PubChem (CID 123390165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).