(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol

C12H25O5P — CID 59909256

IUPAC(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol
SMILESCC[C@H]1O[C@@H](P(=O)(OC(C)C)OC(C)C)C[C@@H]1O
InChIInChI=1S/C12H25O5P/c1-6-11-10(13)7-12(15-11)18(14,16-8(2)3)17-9(4)5/h8-13H,6-7H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeyRWCZTJOGOMXJJJ-TUAOUCFPSA-N
MW280.30 g/mol
LogP2.92
Rot. Bonds6

About (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol

(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol (PubChem CID 59909256) has the molecular formula C12H25O5P and a molecular weight of 280.30 g/mol. Its IUPAC name is (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol
PubChem CID59909256
Molecular FormulaC12H25O5P
Molecular Weight280.30 g/mol
Exact Mass280.14
IUPAC Name(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol
SMILESCC[C@H]1O[C@@H](P(=O)(OC(C)C)OC(C)C)C[C@@H]1O
InChIInChI=1S/C12H25O5P/c1-6-11-10(13)7-12(15-11)18(14,16-8(2)3)17-9(4)5/h8-13H,6-7H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeyRWCZTJOGOMXJJJ-TUAOUCFPSA-N
XLogP2.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.92
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 (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol (CID 59909256) is (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol is CC[C@H]1O[C@@H](P(=O)(OC(C)C)OC(C)C)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol?
The InChIKey is RWCZTJOGOMXJJJ-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H25O5P/c1-6-11-10(13)7-12(15-11)18(14,16-8(2)3)17-9(4)5/h8-13H,6-7H2,1-5H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol?
(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol has a molecular weight of 280.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-2-ethyloxolan-3-ol is sourced from PubChem (CID 59909256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).