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

C6H12O5 — CID 175738695

IUPAC(2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol
SMILESOC[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c7-1-3-2-11-6(10)5(9)4(3)8/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyGXPWRRFROZMZCM-ZXXMMSQZSA-N
MW164.16 g/mol
LogP-2.33
Rot. Bonds1

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

(2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 175738695) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol
PubChem CID175738695
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol
SMILESOC[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c7-1-3-2-11-6(10)5(9)4(3)8/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyGXPWRRFROZMZCM-ZXXMMSQZSA-N
XLogP-2.33
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 ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R)-4-(hydroxymethyl)oxolane-2,3-diol
CID 156614302
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
CID 7784271
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
3-amino-6-(hydroxymethyl)oxepane-4,5-diol
CID 146664053
CID 157394742
CID 157394742
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 167408601
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol?
The IUPAC name of (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol (CID 175738695) is (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol?
The canonical SMILES for (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol is OC[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol?
The InChIKey is GXPWRRFROZMZCM-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H12O5/c7-1-3-2-11-6(10)5(9)4(3)8/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol?
(2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 164.16 g/mol, XLogP of -2.33, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 175738695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).