(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol

C32H38O6S — CID 10973652

IUPAC(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](Sc3ccccc3)C[C@@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C32H38O6S/c1-22-31(33)27(34-20-24-12-6-3-7-13-24)18-29(36-22)38-32-23(2)37-30(39-26-16-10-5-11-17-26)19-28(32)35-21-25-14-8-4-9-15-25/h3-17,22-23,27-33H,18-21H2,1-2H3/t22-,23-,27-,28-,29-,30-,31+,32+/m0/s1
InChIKeyFOXAFZPYPLIXPO-VXCUGVSMSA-N
MW550.72 g/mol
LogP5.97
Rot. Bonds10

About (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol

(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol (PubChem CID 10973652) has the molecular formula C32H38O6S and a molecular weight of 550.72 g/mol. Its IUPAC name is (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol
PubChem CID10973652
Molecular FormulaC32H38O6S
Molecular Weight550.72 g/mol
Exact Mass550.24
IUPAC Name(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](Sc3ccccc3)C[C@@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C32H38O6S/c1-22-31(33)27(34-20-24-12-6-3-7-13-24)18-29(36-22)38-32-23(2)37-30(39-26-16-10-5-11-17-26)19-28(32)35-21-25-14-8-4-9-15-25/h3-17,22-23,27-33H,18-21H2,1-2H3/t22-,23-,27-,28-,29-,30-,31+,32+/m0/s1
InChIKeyFOXAFZPYPLIXPO-VXCUGVSMSA-N
XLogP5.97
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.72
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
CID 11190476
2,3,4,6-Tetra-O-benzylhexopyranose
CID 563647
beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
2,3,4,6-Tetrakis-O-(phenylmethyl)-alpha-D-glucopyranose
CID 11731256
2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose
CID 2734154
2,3,4,6-Tetra-O-benzyl-D-glucopyranose
CID 6409834
2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose
CID 10940502
((2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-6-methoxytetrahydro-2H-pyran-2-yl)methanol
CID 11419893
2,3,4,6-Tetra-O-benzyl-alpha-L-glucopyranose
CID 54149221
7,8-Bis-benzyloxy-6-hydroxymethyl-3-methyl-6,7,8,8a-tetrahydro-4aH-4,5-dioxa-1-thia-naphthalene-2-carboxylic acid ethyl ester
CID 44312485
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5R,6R)-5-hydroxy-6-phenylmethoxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 45101442
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5S,6R)-5-hydroxy-6-phenylmethoxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 45101443

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol?
The IUPAC name of (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol (CID 10973652) is (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol?
The canonical SMILES for (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol is C[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](Sc3ccccc3)C[C@@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol?
The InChIKey is FOXAFZPYPLIXPO-VXCUGVSMSA-N. The full InChI is InChI=1S/C32H38O6S/c1-22-31(33)27(34-20-24-12-6-3-7-13-24)18-29(36-22)38-32-23(2)37-30(39-26-16-10-5-11-17-26)19-28(32)35-21-25-14-8-4-9-15-25/h3-17,22-23,27-33H,18-21H2,1-2H3/t22-,23-,27-,28-,29-,30-,31+,32+/m0/s1.
What are the key properties of (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol?
(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol has a molecular weight of 550.72 g/mol, XLogP of 5.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 10973652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).