(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol

C10H22NO5P — CID 11558542

IUPAC(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol
SMILESCCOP(=O)(C[C@@H]1N[C@@H](C)[C@@H](O)[C@H]1O)OCC
InChIInChI=1S/C10H22NO5P/c1-4-15-17(14,16-5-2)6-8-10(13)9(12)7(3)11-8/h7-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m0/s1
InChIKeyUCTSIOSFGTZGPJ-QEYWKRMJSA-N
MW267.26 g/mol
LogP0.33
Rot. Bonds6

About (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol

(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol (PubChem CID 11558542) has the molecular formula C10H22NO5P and a molecular weight of 267.26 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol
PubChem CID11558542
Molecular FormulaC10H22NO5P
Molecular Weight267.26 g/mol
Exact Mass267.12
IUPAC Name(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol
SMILESCCOP(=O)(C[C@@H]1N[C@@H](C)[C@@H](O)[C@H]1O)OCC
InChIInChI=1S/C10H22NO5P/c1-4-15-17(14,16-5-2)6-8-10(13)9(12)7(3)11-8/h7-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m0/s1
InChIKeyUCTSIOSFGTZGPJ-QEYWKRMJSA-N
XLogP0.33
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol (CID 11558542) is (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol is CCOP(=O)(C[C@@H]1N[C@@H](C)[C@@H](O)[C@H]1O)OCC.
What is the InChIKey of (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol?
The InChIKey is UCTSIOSFGTZGPJ-QEYWKRMJSA-N. The full InChI is InChI=1S/C10H22NO5P/c1-4-15-17(14,16-5-2)6-8-10(13)9(12)7(3)11-8/h7-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol?
(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol has a molecular weight of 267.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 11558542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).