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

C6H12O5 — CID 134837083

IUPAC(3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
SMILESC[C@@]1(O)C(O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H12O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-5,7-10H,2H2,1H3/t3-,4-,5?,6+/m1/s1
InChIKeyOTSXNWWJWCDXSQ-CERMHHMHSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

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

(3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol (PubChem CID 134837083) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
PubChem CID134837083
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
SMILESC[C@@]1(O)C(O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H12O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-5,7-10H,2H2,1H3/t3-,4-,5?,6+/m1/s1
InChIKeyOTSXNWWJWCDXSQ-CERMHHMHSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Deoxyribose
CID 9828112
D-Ribofuranose
CID 5779
2-Deoxy-beta-L-erythro-pentofuranose
CID 22833604
beta-D-Ribose
CID 447347
L-Arabinofuranose
CID 440921
alpha-D-ribofuranose
CID 445894
alpha-L-Arabinofuranose
CID 445935
beta-L-arabinofuranose
CID 6857384
alpha-D-Arabinofuranoside, methyl
CID 11389582
beta-D-Ribofuranoside, methyl
CID 255320
alpha-D-Xylofuranoside, methyl
CID 11147907
alpha-D-Ribofuranoside, methyl
CID 12889245

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol?
The IUPAC name of (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol (CID 134837083) is (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol.
What is the SMILES notation for (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol?
The canonical SMILES for (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol is C[C@@]1(O)C(O)O[C@H](CO)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol?
The InChIKey is OTSXNWWJWCDXSQ-CERMHHMHSA-N. The full InChI is InChI=1S/C6H12O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-5,7-10H,2H2,1H3/t3-,4-,5?,6+/m1/s1.
What are the key properties of (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol?
(3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol is sourced from PubChem (CID 134837083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).