(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C117H200N6O60S3Si — CID 44578015

IUPAC(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C117H200N6O60S3Si/c1-60(133)121-79-64(136)48-115(112(160)161,178-100(79)82(145)67(139)51-124)181-103-85(148)70(54-127)169-109(94(103)157)175-97-73(57-130)172-106(91(154)88(97)151)166-36-16-8-22-42-184-39-19-5-13-30-76(142)118-33-25-45-187(63-28-11-4-12-29-63,46-26-34-119-77(143)31-14-6-20-40-185-43-23-9-17-37-167-107-92(155)89(152)98(74(58-131)173-107)176-110-95(158)104(86(149)71(55-128)170-110)182-116(113(162)163)49-65(137)80(122-61(2)134)101(179-116)83(146)68(140)52-125)47-27-35-120-78(144)32-15-7-21-41-186-44-24-10-18-38-168-108-93(156)90(153)99(75(59-132)174-108)177-111-96(159)105(87(150)72(56-129)171-111)183-117(114(164)165)50-66(138)81(123-62(3)135)102(180-117)84(147)69(141)53-126/h4,11-12,28-29,64-75,79-111,124-132,136-141,145-159H,5-10,13-27,30-59H2,1-3H3,(H,118,142)(H,119,143)(H,120,144)(H,121,133)(H,122,134)(H,123,135)(H,160,161)(H,162,163)(H,164,165)/t64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103-,104-,105-,106+,107+,108+,109+,110+,111+,115-,116-,117-/m0/s1
InChIKeyXCUIZSKEBPGYJU-HUNMKNDESA-N
MW2775.16 g/mol
LogP-12.30
Rot. Bonds85

About (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 44578015) has the molecular formula C117H200N6O60S3Si and a molecular weight of 2775.16 g/mol. Its IUPAC name is (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID44578015
Molecular FormulaC117H200N6O60S3Si
Molecular Weight2775.16 g/mol
Exact Mass2773.17
IUPAC Name(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C117H200N6O60S3Si/c1-60(133)121-79-64(136)48-115(112(160)161,178-100(79)82(145)67(139)51-124)181-103-85(148)70(54-127)169-109(94(103)157)175-97-73(57-130)172-106(91(154)88(97)151)166-36-16-8-22-42-184-39-19-5-13-30-76(142)118-33-25-45-187(63-28-11-4-12-29-63,46-26-34-119-77(143)31-14-6-20-40-185-43-23-9-17-37-167-107-92(155)89(152)98(74(58-131)173-107)176-110-95(158)104(86(149)71(55-128)170-110)182-116(113(162)163)49-65(137)80(122-61(2)134)101(179-116)83(146)68(140)52-125)47-27-35-120-78(144)32-15-7-21-41-186-44-24-10-18-38-168-108-93(156)90(153)99(75(59-132)174-108)177-111-96(159)105(87(150)72(56-129)171-111)183-117(114(164)165)50-66(138)81(123-62(3)135)102(180-117)84(147)69(141)53-126/h4,11-12,28-29,64-75,79-111,124-132,136-141,145-159H,5-10,13-27,30-59H2,1-3H3,(H,118,142)(H,119,143)(H,120,144)(H,121,133)(H,122,134)(H,123,135)(H,160,161)(H,162,163)(H,164,165)/t64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103-,104-,105-,106+,107+,108+,109+,110+,111+,115-,116-,117-/m0/s1
InChIKeyXCUIZSKEBPGYJU-HUNMKNDESA-N
XLogP-12.30
TPSA1059.54 Ų
H-Bond Donors39
H-Bond Acceptors60
Rotatable Bonds85
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002775.16
LogP ≤ 5-12.30
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1060

Analyze (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 44578015) is (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O.
What is the InChIKey of (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is XCUIZSKEBPGYJU-HUNMKNDESA-N. The full InChI is InChI=1S/C117H200N6O60S3Si/c1-60(133)121-79-64(136)48-115(112(160)161,178-100(79)82(145)67(139)51-124)181-103-85(148)70(54-127)169-109(94(103)157)175-97-73(57-130)172-106(91(154)88(97)151)166-36-16-8-22-42-184-39-19-5-13-30-76(142)118-33-25-45-187(63-28-11-4-12-29-63,46-26-34-119-77(143)31-14-6-20-40-185-43-23-9-17-37-167-107-92(155)89(152)98(74(58-131)173-107)176-110-95(158)104(86(149)71(55-128)170-110)182-116(113(162)163)49-65(137)80(122-61(2)134)101(179-116)83(146)68(140)52-125)47-27-35-120-78(144)32-15-7-21-41-186-44-24-10-18-38-168-108-93(156)90(153)99(75(59-132)174-108)177-111-96(159)105(87(150)72(56-129)171-111)183-117(114(164)165)50-66(138)81(123-62(3)135)102(180-117)84(147)69(141)53-126/h4,11-12,28-29,64-75,79-111,124-132,136-141,145-159H,5-10,13-27,30-59H2,1-3H3,(H,118,142)(H,119,143)(H,120,144)(H,121,133)(H,122,134)(H,123,135)(H,160,161)(H,162,163)(H,164,165)/t64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103-,104-,105-,106+,107+,108+,109+,110+,111+,115-,116-,117-/m0/s1.
What are the key properties of (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 2775.16 g/mol, XLogP of -12.30, 85 rotatable bonds, 39 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 44578015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).