(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol

C19H22O5S — CID 10690030

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol
SMILESOC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C19H22O5S/c20-11-15-16(21)18(23-12-13-7-3-1-4-8-13)17(22)19(24-15)25-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19+/m1/s1
InChIKeyLPMBAPQCLQUXNK-QQXKLLMISA-N
MW362.45 g/mol
LogP1.80
Rot. Bonds6

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol (PubChem CID 10690030) has the molecular formula C19H22O5S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol
PubChem CID10690030
Molecular FormulaC19H22O5S
Molecular Weight362.45 g/mol
Exact Mass362.12
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol
SMILESOC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C19H22O5S/c20-11-15-16(21)18(23-12-13-7-3-1-4-8-13)17(22)19(24-15)25-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19+/m1/s1
InChIKeyLPMBAPQCLQUXNK-QQXKLLMISA-N
XLogP1.80
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol 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 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol (CID 10690030) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol is OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol?
The InChIKey is LPMBAPQCLQUXNK-QQXKLLMISA-N. The full InChI is InChI=1S/C19H22O5S/c20-11-15-16(21)18(23-12-13-7-3-1-4-8-13)17(22)19(24-15)25-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol has a molecular weight of 362.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylsulfanyloxane-3,5-diol is sourced from PubChem (CID 10690030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).