(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol

C6H13O6P — CID 141114206

IUPAC(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@](O)(P)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13O6P/c7-1-2-3(8)4(9)5(10)6(11,13)12-2/h2-5,7-11H,1,13H2/t2-,3+,4+,5-,6+/m1/s1
InChIKeyIDXOBKJPWLSGIJ-PHYPRBDBSA-N
MW212.14 g/mol
LogP-3.02
Rot. Bonds1

About (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol

(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol (PubChem CID 141114206) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
PubChem CID141114206
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@](O)(P)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13O6P/c7-1-2-3(8)4(9)5(10)6(11,13)12-2/h2-5,7-11H,1,13H2/t2-,3+,4+,5-,6+/m1/s1
InChIKeyIDXOBKJPWLSGIJ-PHYPRBDBSA-N
XLogP-3.02
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-3.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
sodium;hydride;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(2-phosphanylethyl)oxane-2,3,4,5-tetrol
CID 175032587
(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 170546402

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol (CID 141114206) is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol is OC[C@H]1O[C@](O)(P)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol?
The InChIKey is IDXOBKJPWLSGIJ-PHYPRBDBSA-N. The full InChI is InChI=1S/C6H13O6P/c7-1-2-3(8)4(9)5(10)6(11,13)12-2/h2-5,7-11H,1,13H2/t2-,3+,4+,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol?
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol has a molecular weight of 212.14 g/mol, XLogP of -3.02, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 141114206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).