(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol

C5H12ClO4P — CID 56958446

IUPAC(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
SMILESCOP(=O)(OC)[C@H](Cl)[C@H](C)O
InChIInChI=1S/C5H12ClO4P/c1-4(7)5(6)11(8,9-2)10-3/h4-5,7H,1-3H3/t4-,5-/m0/s1
InChIKeyIXWDAAZLQODWLH-WHFBIAKZSA-N
MW202.57 g/mol
LogP1.42
Rot. Bonds4

About (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol

(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol (PubChem CID 56958446) has the molecular formula C5H12ClO4P and a molecular weight of 202.57 g/mol. Its IUPAC name is (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
PubChem CID56958446
Molecular FormulaC5H12ClO4P
Molecular Weight202.57 g/mol
Exact Mass202.02
IUPAC Name(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol
SMILESCOP(=O)(OC)[C@H](Cl)[C@H](C)O
InChIInChI=1S/C5H12ClO4P/c1-4(7)5(6)11(8,9-2)10-3/h4-5,7H,1-3H3/t4-,5-/m0/s1
InChIKeyIXWDAAZLQODWLH-WHFBIAKZSA-N
XLogP1.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.57
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol?
The IUPAC name of (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol (CID 56958446) is (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol is COP(=O)(OC)[C@H](Cl)[C@H](C)O.
What is the InChIKey of (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol?
The InChIKey is IXWDAAZLQODWLH-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12ClO4P/c1-4(7)5(6)11(8,9-2)10-3/h4-5,7H,1-3H3/t4-,5-/m0/s1.
What are the key properties of (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol?
(1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol has a molecular weight of 202.57 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-chloro-1-dimethoxyphosphorylpropan-2-ol is sourced from PubChem (CID 56958446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).