[(2R)-2-hydroxy-3-phosphonooxypropyl] formate

C4H9O7P — CID 25163997

IUPAC[(2R)-2-hydroxy-3-phosphonooxypropyl] formate
SMILESO=COC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C4H9O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3-4,6H,1-2H2,(H2,7,8,9)/t4-/m1/s1
InChIKeyFIZSCSXWOJBHKQ-SCSAIBSYSA-N
MW200.08 g/mol
LogP-1.37
Rot. Bonds6

About [(2R)-2-hydroxy-3-phosphonooxypropyl] formate

[(2R)-2-hydroxy-3-phosphonooxypropyl] formate (PubChem CID 25163997) has the molecular formula C4H9O7P and a molecular weight of 200.08 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-phosphonooxypropyl] formate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-phosphonooxypropyl] formate
PubChem CID25163997
Molecular FormulaC4H9O7P
Molecular Weight200.08 g/mol
Exact Mass200.01
IUPAC Name[(2R)-2-hydroxy-3-phosphonooxypropyl] formate
SMILESO=COC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C4H9O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3-4,6H,1-2H2,(H2,7,8,9)/t4-/m1/s1
InChIKeyFIZSCSXWOJBHKQ-SCSAIBSYSA-N
XLogP-1.37
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-phosphonooxypropyl] formate?
The IUPAC name of [(2R)-2-hydroxy-3-phosphonooxypropyl] formate (CID 25163997) is [(2R)-2-hydroxy-3-phosphonooxypropyl] formate.
What is the SMILES notation for [(2R)-2-hydroxy-3-phosphonooxypropyl] formate?
The canonical SMILES for [(2R)-2-hydroxy-3-phosphonooxypropyl] formate is O=COC[C@@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R)-2-hydroxy-3-phosphonooxypropyl] formate?
The InChIKey is FIZSCSXWOJBHKQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3-4,6H,1-2H2,(H2,7,8,9)/t4-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-phosphonooxypropyl] formate?
[(2R)-2-hydroxy-3-phosphonooxypropyl] formate has a molecular weight of 200.08 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-phosphonooxypropyl] formate is sourced from PubChem (CID 25163997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).