[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate

C5H13O6P — CID 657102

IUPAC[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate
SMILESCC[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1
InChIKeyFQKLTSRHTQGSQZ-CRCLSJGQSA-N
MW200.13 g/mol
LogP-0.77
Rot. Bonds5

About [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate

[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate (PubChem CID 657102) has the molecular formula C5H13O6P and a molecular weight of 200.13 g/mol. Its IUPAC name is [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate
PubChem CID657102
Molecular FormulaC5H13O6P
Molecular Weight200.13 g/mol
Exact Mass200.04
IUPAC Name[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate
SMILESCC[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1
InChIKeyFQKLTSRHTQGSQZ-CRCLSJGQSA-N
XLogP-0.77
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3S)-2,3-dihydroxypentyl] 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 [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate?
The IUPAC name of [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate (CID 657102) is [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate?
The canonical SMILES for [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate is CC[C@H](O)[C@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate?
The InChIKey is FQKLTSRHTQGSQZ-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1.
What are the key properties of [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate?
[(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate has a molecular weight of 200.13 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate is sourced from PubChem (CID 657102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).