(2R,3S)-3-diethoxyphosphorylbutan-2-ol

C8H19O4P — CID 11031085

IUPAC(2R,3S)-3-diethoxyphosphorylbutan-2-ol
SMILESCCOP(=O)(OCC)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C8H19O4P/c1-5-11-13(10,12-6-2)8(4)7(3)9/h7-9H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyJHOFEMGGZHDOAA-SFYZADRCSA-N
MW210.21 g/mol
LogP2.02
Rot. Bonds6

About (2R,3S)-3-diethoxyphosphorylbutan-2-ol

(2R,3S)-3-diethoxyphosphorylbutan-2-ol (PubChem CID 11031085) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is (2R,3S)-3-diethoxyphosphorylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-diethoxyphosphorylbutan-2-ol
PubChem CID11031085
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name(2R,3S)-3-diethoxyphosphorylbutan-2-ol
SMILESCCOP(=O)(OCC)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C8H19O4P/c1-5-11-13(10,12-6-2)8(4)7(3)9/h7-9H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyJHOFEMGGZHDOAA-SFYZADRCSA-N
XLogP2.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-diethoxyphosphorylbutan-2-ol?
The IUPAC name of (2R,3S)-3-diethoxyphosphorylbutan-2-ol (CID 11031085) is (2R,3S)-3-diethoxyphosphorylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-diethoxyphosphorylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-diethoxyphosphorylbutan-2-ol is CCOP(=O)(OCC)[C@@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-diethoxyphosphorylbutan-2-ol?
The InChIKey is JHOFEMGGZHDOAA-SFYZADRCSA-N. The full InChI is InChI=1S/C8H19O4P/c1-5-11-13(10,12-6-2)8(4)7(3)9/h7-9H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-3-diethoxyphosphorylbutan-2-ol?
(2R,3S)-3-diethoxyphosphorylbutan-2-ol has a molecular weight of 210.21 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-diethoxyphosphorylbutan-2-ol is sourced from PubChem (CID 11031085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).