(2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H12O6 — CID 131156074

IUPAC(2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1(O)[C@H](O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1
InChIKeyLPZIZDWZKIXVRZ-JDJSBBGDSA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds1

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

(2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 131156074) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID131156074
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1(O)[C@H](O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1
InChIKeyLPZIZDWZKIXVRZ-JDJSBBGDSA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 130874602
(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol
CID 10855910
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
N-[2-[(3S)-3,4,5-trihydroxy-2-methyloxan-3-yl]ethyl]acetamide
CID 134582219
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 131156074) is (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol is OCC1(O)[C@H](O)OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is LPZIZDWZKIXVRZ-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1.
What are the key properties of (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-3-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 131156074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).