(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol

C13H18O4 — CID 125479341

IUPAC(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
SMILESOC[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O4/c14-7-10-6-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-,13+/m0/s1
InChIKeyUVWABLQCVCNAND-QNWHQSFQSA-N
MW238.28 g/mol
LogP0.31
Rot. Bonds4

About (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol

(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol (PubChem CID 125479341) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
PubChem CID125479341
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
SMILESOC[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O4/c14-7-10-6-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-,13+/m0/s1
InChIKeyUVWABLQCVCNAND-QNWHQSFQSA-N
XLogP0.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(2S,3S,4aR,5R,6S,8S,8aR)-8-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethyl-6-phenylmethoxy-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxin-5-ol
CID 71500285
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
[(3S,4S)-4-phenylmethoxythiolan-3-yl]methanol
CID 11790849
[(1R,2R,3R,4R,5R)-2,5-bis(phenylmethoxy)-3,4-di(propan-2-yloxy)cyclohexyl]methanol
CID 101023558
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
CID 67824226
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol?
The IUPAC name of (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol (CID 125479341) is (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol.
What is the SMILES notation for (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol?
The canonical SMILES for (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol is OC[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol?
The InChIKey is UVWABLQCVCNAND-QNWHQSFQSA-N. The full InChI is InChI=1S/C13H18O4/c14-7-10-6-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2/t10-,11+,12-,13+/m0/s1.
What are the key properties of (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol?
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol has a molecular weight of 238.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol is sourced from PubChem (CID 125479341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).