[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

C6H13O10P — CID 141311551

IUPAC[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)OC1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13O10P/c7-1-2-3(8)4(9)5(10)6(11,15-2)16-17(12,13)14/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4+,5-,6?/m1/s1
InChIKeySMYFATMHVQSESC-SVZMEOIVSA-N
MW276.13 g/mol
LogP-3.78
Rot. Bonds3

About [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate (PubChem CID 141311551) has the molecular formula C6H13O10P and a molecular weight of 276.13 g/mol. Its IUPAC name is [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
PubChem CID141311551
Molecular FormulaC6H13O10P
Molecular Weight276.13 g/mol
Exact Mass276.02
IUPAC Name[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)OC1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13O10P/c7-1-2-3(8)4(9)5(10)6(11,15-2)16-17(12,13)14/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4+,5-,6?/m1/s1
InChIKeySMYFATMHVQSESC-SVZMEOIVSA-N
XLogP-3.78
TPSA177.14 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.13
LogP ≤ 5-3.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
bis[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] oxalate
CID 174160033
[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 2-bromoacetate
CID 142714224
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 175420137
[(2S,3S,5R,6S)-1,2,3,4,5,6-hexahydroxycyclohexyl] dihydrogen phosphate
CID 18723939
(1,2,3,4,5,6-hexahydroxycyclohexyl) dihydrogen phosphate
CID 18533331
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-undecoxyoxane-2,3,4,5-tetrol
CID 139609778
[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] hexadecanoate
CID 141327554
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate?
The IUPAC name of [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate (CID 141311551) is [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate?
The canonical SMILES for [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate is O=P(O)(O)OC1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate?
The InChIKey is SMYFATMHVQSESC-SVZMEOIVSA-N. The full InChI is InChI=1S/C6H13O10P/c7-1-2-3(8)4(9)5(10)6(11,15-2)16-17(12,13)14/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4+,5-,6?/m1/s1.
What are the key properties of [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate?
[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate has a molecular weight of 276.13 g/mol, XLogP of -3.78, 3 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 141311551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).