[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate

C7H15O8P — CID 130291243

IUPAC[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1C[C@@H](O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3?,4-,5-,6-,7?/m1/s1
InChIKeyFPLZFJHCPYNBEO-IZIXOJRVSA-N
MW258.16 g/mol
LogP-2.44
Rot. Bonds3

About [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate

[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate (PubChem CID 130291243) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
PubChem CID130291243
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1C[C@@H](O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3?,4-,5-,6-,7?/m1/s1
InChIKeyFPLZFJHCPYNBEO-IZIXOJRVSA-N
XLogP-2.44
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.16
LogP ≤ 5-2.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl 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,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate (CID 130291243) is [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate is O=P(O)(O)OCC1C[C@@H](O)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate?
The InChIKey is FPLZFJHCPYNBEO-IZIXOJRVSA-N. The full InChI is InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3?,4-,5-,6-,7?/m1/s1.
What are the key properties of [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate?
[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate has a molecular weight of 258.16 g/mol, XLogP of -2.44, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate is sourced from PubChem (CID 130291243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).