(2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol

C11H21O5P — CID 166863075

IUPAC(2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol
SMILESCCOP(=O)(C/C(C)=C1/OCC[C@H]1O)OCC
InChIInChI=1S/C11H21O5P/c1-4-15-17(13,16-5-2)8-9(3)11-10(12)6-7-14-11/h10,12H,4-8H2,1-3H3/b11-9+/t10-/m1/s1
InChIKeyISXIUUIVMGQLTA-OYVNLZQHSA-N
MW264.26 g/mol
LogP2.31
Rot. Bonds6

About (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol

(2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol (PubChem CID 166863075) has the molecular formula C11H21O5P and a molecular weight of 264.26 g/mol. Its IUPAC name is (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol.

Molecular Properties

Compound Name(2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol
PubChem CID166863075
Molecular FormulaC11H21O5P
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name(2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol
SMILESCCOP(=O)(C/C(C)=C1/OCC[C@H]1O)OCC
InChIInChI=1S/C11H21O5P/c1-4-15-17(13,16-5-2)8-9(3)11-10(12)6-7-14-11/h10,12H,4-8H2,1-3H3/b11-9+/t10-/m1/s1
InChIKeyISXIUUIVMGQLTA-OYVNLZQHSA-N
XLogP2.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol?
The IUPAC name of (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol (CID 166863075) is (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol.
What is the SMILES notation for (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol?
The canonical SMILES for (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol is CCOP(=O)(C/C(C)=C1/OCC[C@H]1O)OCC.
What is the InChIKey of (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol?
The InChIKey is ISXIUUIVMGQLTA-OYVNLZQHSA-N. The full InChI is InChI=1S/C11H21O5P/c1-4-15-17(13,16-5-2)8-9(3)11-10(12)6-7-14-11/h10,12H,4-8H2,1-3H3/b11-9+/t10-/m1/s1.
What are the key properties of (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol?
(2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol has a molecular weight of 264.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3R)-2-(1-diethoxyphosphorylpropan-2-ylidene)oxolan-3-ol is sourced from PubChem (CID 166863075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).