(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol

C13H18O6 — CID 174840135

IUPAC(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
SMILESOC[C@@H](O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C13H18O6/c14-7-9(15)11-13(18,10(16)12(17)19-11)6-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10-,11+,12-,13+/m1/s1
InChIKeyDNNYQDGUEJLFSY-LBELIVKGSA-N
MW270.28 g/mol
LogP-1.61
Rot. Bonds4

About (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol

(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol (PubChem CID 174840135) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
PubChem CID174840135
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
SMILESOC[C@@H](O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C13H18O6/c14-7-9(15)11-13(18,10(16)12(17)19-11)6-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10-,11+,12-,13+/m1/s1
InChIKeyDNNYQDGUEJLFSY-LBELIVKGSA-N
XLogP-1.61
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol with MolForge

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Related Compounds

(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
[(2R,3R,4R,5S)-2-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxolan-3-yl]-phenylmethanone
CID 174840639
(2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 57265207
(3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 54053132
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
bis((2R,3S,5R,6S)-1-benzylcyclohexane-1,2,3,4,5,6-hexol);dihydrate
CID 139077583
(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol
CID 10802818
(1R,2R,3R,4R,5R)-2-benzyl-3-chloro-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 57024548
(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91215781
(3R,4R,5S)-2-(dibenzylamino)sulfanyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 90975442
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
CID 7358357
(2R,3S,4R,5S,6S)-3-benzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 70189046

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol (CID 174840135) is (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol is OC[C@@H](O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is DNNYQDGUEJLFSY-LBELIVKGSA-N. The full InChI is InChI=1S/C13H18O6/c14-7-9(15)11-13(18,10(16)12(17)19-11)6-8-4-2-1-3-5-8/h1-5,9-12,14-18H,6-7H2/t9-,10-,11+,12-,13+/m1/s1.
What are the key properties of (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 270.28 g/mol, XLogP of -1.61, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 174840135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).