[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate

C5H13O7P — CID 101416301

IUPAC[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
SMILESO=P(O)(O)OCC[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H13O7P/c6-3-5(8)4(7)1-2-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1
InChIKeyRZHHYSGYRQVGJD-CRCLSJGQSA-N
MW216.13 g/mol
LogP-1.80
Rot. Bonds6

About [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate

[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate (PubChem CID 101416301) has the molecular formula C5H13O7P and a molecular weight of 216.13 g/mol. Its IUPAC name is [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
PubChem CID101416301
Molecular FormulaC5H13O7P
Molecular Weight216.13 g/mol
Exact Mass216.04
IUPAC Name[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate
SMILESO=P(O)(O)OCC[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H13O7P/c6-3-5(8)4(7)1-2-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1
InChIKeyRZHHYSGYRQVGJD-CRCLSJGQSA-N
XLogP-1.80
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3S,4R)-3,4,5-trihydroxypentyl] 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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate?
The IUPAC name of [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate (CID 101416301) is [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate.
What is the SMILES notation for [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate?
The canonical SMILES for [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate is O=P(O)(O)OCC[C@H](O)[C@H](O)CO.
What is the InChIKey of [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate?
The InChIKey is RZHHYSGYRQVGJD-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H13O7P/c6-3-5(8)4(7)1-2-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1.
What are the key properties of [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate?
[(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate has a molecular weight of 216.13 g/mol, XLogP of -1.80, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4,5-trihydroxypentyl] dihydrogen phosphate is sourced from PubChem (CID 101416301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).