[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate

C6H13O9P-2 — CID 23421203

IUPAC[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate
SMILESO=P([O-])([O-])O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)CO
InChIInChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6-/m1/s1
InChIKeyRSCVCIHYYQHRMQ-JGWLITMVSA-L
MW260.13 g/mol
LogP-4.73
Rot. Bonds7

About [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate

[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate (PubChem CID 23421203) has the molecular formula C6H13O9P-2 and a molecular weight of 260.13 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate
PubChem CID23421203
Molecular FormulaC6H13O9P-2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate
SMILESO=P([O-])([O-])O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)CO
InChIInChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6-/m1/s1
InChIKeyRSCVCIHYYQHRMQ-JGWLITMVSA-L
XLogP-4.73
TPSA173.57 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 5-4.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] 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

barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
tetrasodium;2,3,4,5,6-pentahydroxyhexanal;phosphonato phosphate
CID 19360003
sodium 1,3-dihydroxypropan-2-yl phosphate
CID 19940238
trisodium;hydrogen phosphate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;chloride
CID 163887457
disodium;(3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate
CID 164512399
(2R,3R,4R,5R)-4-methoxyhexane-1,2,3,5,6-pentol
CID 22214433
[(2S,3S)-1,2,3,4-tetrahydroxybutyl] dihydrogen phosphate
CID 174690101
[(2R,3S,4S,5R)-4,5,6-trihydroxy-1-oxo-2-phosphonooxyhexan-3-yl] dihydrogen phosphate
CID 21155772
[(3S,4R,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptyl] phosphate
CID 134820516
[hydroxy-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxo-6-phosphonooxyhexan-3-yl]oxyphosphoryl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87961850
sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
CID 86586928
[(2R,3R,4R)-1-hydroxy-5-oxo-2,4-diphosphonatooxypentan-3-yl] phosphate
CID 21145033

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate?
The IUPAC name of [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate (CID 23421203) is [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate.
What is the SMILES notation for [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate?
The canonical SMILES for [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate is O=P([O-])([O-])O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)CO.
What is the InChIKey of [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate?
The InChIKey is RSCVCIHYYQHRMQ-JGWLITMVSA-L. The full InChI is InChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate?
[(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate has a molecular weight of 260.13 g/mol, XLogP of -4.73, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] phosphate is sourced from PubChem (CID 23421203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).