(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C128H268O48Si13 — CID 46217899

IUPAC(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[Si](C)(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C128H268O48Si13/c1-177(2,49-21-41-161-121-113(153)105(145)97(137)89(81-129)169-121)57-29-65-185(17,66-30-58-178(3,4)50-22-42-162-122-114(154)106(146)98(138)90(82-130)170-122)73-37-77-189(78-38-74-186(18,67-31-59-179(5,6)51-23-43-163-123-115(155)107(147)99(139)91(83-131)171-123)68-32-60-180(7,8)52-24-44-164-124-116(156)108(148)100(140)92(84-132)172-124,79-39-75-187(19,69-33-61-181(9,10)53-25-45-165-125-117(157)109(149)101(141)93(85-133)173-125)70-34-62-182(11,12)54-26-46-166-126-118(158)110(150)102(142)94(86-134)174-126)80-40-76-188(20,71-35-63-183(13,14)55-27-47-167-127-119(159)111(151)103(143)95(87-135)175-127)72-36-64-184(15,16)56-28-48-168-128-120(160)112(152)104(144)96(88-136)176-128/h89-160H,21-88H2,1-20H3/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112?,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,188?/m1/s1
InChIKeySMNZOXYEJAXJAX-ATVUIRJHSA-N
MW2940.62 g/mol
LogP7.75
Rot. Bonds96

About (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 46217899) has the molecular formula C128H268O48Si13 and a molecular weight of 2940.62 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID46217899
Molecular FormulaC128H268O48Si13
Molecular Weight2940.62 g/mol
Exact Mass2937.55
IUPAC Name(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[Si](C)(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C128H268O48Si13/c1-177(2,49-21-41-161-121-113(153)105(145)97(137)89(81-129)169-121)57-29-65-185(17,66-30-58-178(3,4)50-22-42-162-122-114(154)106(146)98(138)90(82-130)170-122)73-37-77-189(78-38-74-186(18,67-31-59-179(5,6)51-23-43-163-123-115(155)107(147)99(139)91(83-131)171-123)68-32-60-180(7,8)52-24-44-164-124-116(156)108(148)100(140)92(84-132)172-124,79-39-75-187(19,69-33-61-181(9,10)53-25-45-165-125-117(157)109(149)101(141)93(85-133)173-125)70-34-62-182(11,12)54-26-46-166-126-118(158)110(150)102(142)94(86-134)174-126)80-40-76-188(20,71-35-63-183(13,14)55-27-47-167-127-119(159)111(151)103(143)95(87-135)175-127)72-36-64-184(15,16)56-28-48-168-128-120(160)112(152)104(144)96(88-136)176-128/h89-160H,21-88H2,1-20H3/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112?,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,188?/m1/s1
InChIKeySMNZOXYEJAXJAX-ATVUIRJHSA-N
XLogP7.75
TPSA795.04 Ų
H-Bond Donors32
H-Bond Acceptors48
Rotatable Bonds96
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002940.62
LogP ≤ 57.75
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1048

Analyze (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol
CID 90401101
(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[3-[3-[bis[3-[3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropylsulfanyl]propyl]-[3-[dimethyl-[3-[tris[3-[3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropylsulfanyl]propyl]silyl]propyl]silyl]propyl]silyl]propylsulfanyl]propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11251959
(2S,3R,4R,5R,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14393381
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 70273203
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 53469479
(3S,4R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 24802436
(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
CID 67410580
(3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22879297
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 54350959
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 67412174

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 46217899) is (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C[Si](C)(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC[Si](C)(C)CCCO[C@H]1O[C@H](CO)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is SMNZOXYEJAXJAX-ATVUIRJHSA-N. The full InChI is InChI=1S/C128H268O48Si13/c1-177(2,49-21-41-161-121-113(153)105(145)97(137)89(81-129)169-121)57-29-65-185(17,66-30-58-178(3,4)50-22-42-162-122-114(154)106(146)98(138)90(82-130)170-122)73-37-77-189(78-38-74-186(18,67-31-59-179(5,6)51-23-43-163-123-115(155)107(147)99(139)91(83-131)171-123)68-32-60-180(7,8)52-24-44-164-124-116(156)108(148)100(140)92(84-132)172-124,79-39-75-187(19,69-33-61-181(9,10)53-25-45-165-125-117(157)109(149)101(141)93(85-133)173-125)70-34-62-182(11,12)54-26-46-166-126-118(158)110(150)102(142)94(86-134)174-126)80-40-76-188(20,71-35-63-183(13,14)55-27-47-167-127-119(159)111(151)103(143)95(87-135)175-127)72-36-64-184(15,16)56-28-48-168-128-120(160)112(152)104(144)96(88-136)176-128/h89-160H,21-88H2,1-20H3/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112?,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,188?/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 2940.62 g/mol, XLogP of 7.75, 96 rotatable bonds, 32 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 46217899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).