[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate

C98H112Cl3NO26 — CID 42597602

IUPAC[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate
SMILESC=CCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](OCc3ccccc3)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OC(=O)CCC(C)=O)[C@H]2OC(C)=O)[C@H]1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C98H112Cl3NO26/c1-7-50-110-93-90(86(80(63(4)118-93)112-54-68-36-20-10-21-37-68)126-94-88(117-59-73-46-30-15-31-47-73)85(116-58-72-44-28-14-29-45-72)82(114-56-70-40-24-12-25-41-70)75(123-94)60-109-52-66-32-16-8-17-33-66)128-92-77(102-97(108)98(99,100)101)83(78(107)74(51-103)122-92)125-96-91(121-65(6)105)87(81(64(5)120-96)113-55-69-38-22-11-23-39-69)127-95-89(124-76(106)49-48-61(2)104)84(115-57-71-42-26-13-27-43-71)79(62(3)119-95)111-53-67-34-18-9-19-35-67/h7-47,62-64,74-75,77-96,103,107H,1,48-60H2,2-6H3,(H,102,108)/t62-,63-,64-,74+,75+,77+,78+,79-,80-,81-,82+,83+,84+,85-,86+,87+,88+,89+,90+,91+,92-,93+,94+,95-,96-/m0/s1
InChIKeyQWHOCRISTNELTF-OOKVCRIUSA-N
MW1826.31 g/mol
LogP13.15
Rot. Bonds43

About [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate

[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate (PubChem CID 42597602) has the molecular formula C98H112Cl3NO26 and a molecular weight of 1826.31 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate
PubChem CID42597602
Molecular FormulaC98H112Cl3NO26
Molecular Weight1826.31 g/mol
Exact Mass1823.65
IUPAC Name[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate
SMILESC=CCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](OCc3ccccc3)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OC(=O)CCC(C)=O)[C@H]2OC(C)=O)[C@H]1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C98H112Cl3NO26/c1-7-50-110-93-90(86(80(63(4)118-93)112-54-68-36-20-10-21-37-68)126-94-88(117-59-73-46-30-15-31-47-73)85(116-58-72-44-28-14-29-45-72)82(114-56-70-40-24-12-25-41-70)75(123-94)60-109-52-66-32-16-8-17-33-66)128-92-77(102-97(108)98(99,100)101)83(78(107)74(51-103)122-92)125-96-91(121-65(6)105)87(81(64(5)120-96)113-55-69-38-22-11-23-39-69)127-95-89(124-76(106)49-48-61(2)104)84(115-57-71-42-26-13-27-43-71)79(62(3)119-95)111-53-67-34-18-9-19-35-67/h7-47,62-64,74-75,77-96,103,107H,1,48-60H2,2-6H3,(H,102,108)/t62-,63-,64-,74+,75+,77+,78+,79-,80-,81-,82+,83+,84+,85-,86+,87+,88+,89+,90+,91+,92-,93+,94+,95-,96-/m0/s1
InChIKeyQWHOCRISTNELTF-OOKVCRIUSA-N
XLogP13.15
TPSA305.37 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.31
LogP ≤ 513.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]methyl acetate
CID 25258997
[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6R)-5-acetyloxy-2-methyl-3-phenylmethoxy-6-prop-2-enoxyoxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 4-oxopentanoate
CID 25260839
[(2R,3S,4R,5R,6R)-3-acetyloxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl] 4-oxopentanoate
CID 73427297
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-3-[(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]oxy-4-phenylmethoxy-5,6-bis(prop-2-enoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 11040563
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S,6S)-6-methyl-2-[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxyoxan-3-yl]oxy-5-phenylmethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide
CID 102507893
[(2S,4S,5S)-2-[(2S,4R,5S)-3-acetamido-2-[(2S,4S,5S)-2-[(2S,4S,5S)-2,6-dimethyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-6-methyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 90359646
N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2,2-dimethyl-6-[(2S,3R,4R,5S,6S)-6-methyl-2-[(2R,3R,4R,5R,6S)-6-methyl-5-phenylmethoxy-4-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-5-phenylmethoxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide
CID 25261649
[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-6-[(2S,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-(2,2,2-trichloroacetyl)oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxopentanoate
CID 42600256
N-[(4aR,6S,7R,8R,8aS)-8-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-phenylmethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2-dimethyl-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide
CID 25260357
benzyl (2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6S)-3-[(2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]oxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane-2-carboxylate
CID 71763527
2,2,2-trichloro-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6S)-2-[[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-4-phenylmethoxy-5,6-bis(prop-2-enoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 11040554
[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxyoxan-3-yl] 4-oxopentanoate
CID 25157484

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate?
The IUPAC name of [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate (CID 42597602) is [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate?
The canonical SMILES for [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate is C=CCO[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](OCc3ccccc3)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OC(=O)CCC(C)=O)[C@H]2OC(C)=O)[C@H]1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate?
The InChIKey is QWHOCRISTNELTF-OOKVCRIUSA-N. The full InChI is InChI=1S/C98H112Cl3NO26/c1-7-50-110-93-90(86(80(63(4)118-93)112-54-68-36-20-10-21-37-68)126-94-88(117-59-73-46-30-15-31-47-73)85(116-58-72-44-28-14-29-45-72)82(114-56-70-40-24-12-25-41-70)75(123-94)60-109-52-66-32-16-8-17-33-66)128-92-77(102-97(108)98(99,100)101)83(78(107)74(51-103)122-92)125-96-91(121-65(6)105)87(81(64(5)120-96)113-55-69-38-22-11-23-39-69)127-95-89(124-76(106)49-48-61(2)104)84(115-57-71-42-26-13-27-43-71)79(62(3)119-95)111-53-67-34-18-9-19-35-67/h7-47,62-64,74-75,77-96,103,107H,1,48-60H2,2-6H3,(H,102,108)/t62-,63-,64-,74+,75+,77+,78+,79-,80-,81-,82+,83+,84+,85-,86+,87+,88+,89+,90+,91+,92-,93+,94+,95-,96-/m0/s1.
What are the key properties of [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate?
[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate has a molecular weight of 1826.31 g/mol, XLogP of 13.15, 43 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl]oxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 42597602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).