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

C9H21O4P — CID 166436787

IUPAC(2S,3R)-3-diethoxyphosphorylpentan-2-ol
SMILESCCOP(=O)(OCC)[C@H](CC)[C@H](C)O
InChIInChI=1S/C9H21O4P/c1-5-9(8(4)10)14(11,12-6-2)13-7-3/h8-10H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyOYUGZZBCVSOCBT-DTWKUNHWSA-N
MW224.24 g/mol
LogP2.41
Rot. Bonds7

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

(2S,3R)-3-diethoxyphosphorylpentan-2-ol (PubChem CID 166436787) has the molecular formula C9H21O4P and a molecular weight of 224.24 g/mol. Its IUPAC name is (2S,3R)-3-diethoxyphosphorylpentan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-diethoxyphosphorylpentan-2-ol
PubChem CID166436787
Molecular FormulaC9H21O4P
Molecular Weight224.24 g/mol
Exact Mass224.12
IUPAC Name(2S,3R)-3-diethoxyphosphorylpentan-2-ol
SMILESCCOP(=O)(OCC)[C@H](CC)[C@H](C)O
InChIInChI=1S/C9H21O4P/c1-5-9(8(4)10)14(11,12-6-2)13-7-3/h8-10H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyOYUGZZBCVSOCBT-DTWKUNHWSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
2-diethoxyphosphorylbutane
CID 2733649
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
3-diethoxyphosphorylbut-1-ene
CID 13357671
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452
2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane
CID 163580993
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
1-deuterio-3-diethoxyphosphorylbutane
CID 58697726
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-diethoxyphosphorylpentan-2-ol?
The IUPAC name of (2S,3R)-3-diethoxyphosphorylpentan-2-ol (CID 166436787) is (2S,3R)-3-diethoxyphosphorylpentan-2-ol.
What is the SMILES notation for (2S,3R)-3-diethoxyphosphorylpentan-2-ol?
The canonical SMILES for (2S,3R)-3-diethoxyphosphorylpentan-2-ol is CCOP(=O)(OCC)[C@H](CC)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-diethoxyphosphorylpentan-2-ol?
The InChIKey is OYUGZZBCVSOCBT-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H21O4P/c1-5-9(8(4)10)14(11,12-6-2)13-7-3/h8-10H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-diethoxyphosphorylpentan-2-ol?
(2S,3R)-3-diethoxyphosphorylpentan-2-ol has a molecular weight of 224.24 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-diethoxyphosphorylpentan-2-ol is sourced from PubChem (CID 166436787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).