(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol

C12H16O5 — CID 142629851

IUPAC(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1OC(O)(Cc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16O5/c13-7-9-10(14)11(15)12(16,17-9)6-8-4-2-1-3-5-8/h1-5,9-11,13-16H,6-7H2/t9-,10-,11-,12?/m0/s1
InChIKeyUDTIRZGWWRQEAL-XOGOEWOHSA-N
MW240.25 g/mol
LogP-0.97
Rot. Bonds3

About (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol

(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 142629851) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID142629851
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1OC(O)(Cc2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16O5/c13-7-9-10(14)11(15)12(16,17-9)6-8-4-2-1-3-5-8/h1-5,9-11,13-16H,6-7H2/t9-,10-,11-,12?/m0/s1
InChIKeyUDTIRZGWWRQEAL-XOGOEWOHSA-N
XLogP-0.97
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141389802
N-[(3R,4R,5S,6R)-2-benzyl-2,5-dihydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]butanamide
CID 138685155
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
CID 70798995
2-[(2R,3R,4S,5S,6R)-3-benzyl-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carbonyl]cyclohexane-1,3,5-trione
CID 141056943

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 142629851) is (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol is OC[C@@H]1OC(O)(Cc2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is UDTIRZGWWRQEAL-XOGOEWOHSA-N. The full InChI is InChI=1S/C12H16O5/c13-7-9-10(14)11(15)12(16,17-9)6-8-4-2-1-3-5-8/h1-5,9-11,13-16H,6-7H2/t9-,10-,11-,12?/m0/s1.
What are the key properties of (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol?
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 240.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 142629851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).