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

C10H23ClNO5P — CID 11558541

IUPAC(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride
SMILESCCOP(=O)(C[C@@H]1N[C@@H](C)[C@@H](O)[C@H]1O)OCC.Cl
InChIInChI=1S/C10H22NO5P.ClH/c1-4-15-17(14,16-5-2)6-8-10(13)9(12)7(3)11-8;/h7-13H,4-6H2,1-3H3;1H/t7-,8-,9+,10-;/m0./s1
InChIKeyYPBUVWNPYZNYOK-PZNADOJNSA-N
MW303.72 g/mol
LogP0.76
Rot. Bonds6

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

(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride (PubChem CID 11558541) has the molecular formula C10H23ClNO5P and a molecular weight of 303.72 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride
PubChem CID11558541
Molecular FormulaC10H23ClNO5P
Molecular Weight303.72 g/mol
Exact Mass303.10
IUPAC Name(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride
SMILESCCOP(=O)(C[C@@H]1N[C@@H](C)[C@@H](O)[C@H]1O)OCC.Cl
InChIInChI=1S/C10H22NO5P.ClH/c1-4-15-17(14,16-5-2)6-8-10(13)9(12)7(3)11-8;/h7-13H,4-6H2,1-3H3;1H/t7-,8-,9+,10-;/m0./s1
InChIKeyYPBUVWNPYZNYOK-PZNADOJNSA-N
XLogP0.76
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 50.76
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;hydrochloride?
The IUPAC name of (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride (CID 11558541) is (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride.
What is the SMILES notation for (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
The canonical SMILES for (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride is CCOP(=O)(C[C@@H]1N[C@@H](C)[C@@H](O)[C@H]1O)OCC.Cl.
What is the InChIKey of (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
The InChIKey is YPBUVWNPYZNYOK-PZNADOJNSA-N. The full InChI is InChI=1S/C10H22NO5P.ClH/c1-4-15-17(14,16-5-2)6-8-10(13)9(12)7(3)11-8;/h7-13H,4-6H2,1-3H3;1H/t7-,8-,9+,10-;/m0./s1.
What are the key properties of (2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
(2R,3S,4R,5S)-2-(diethoxyphosphorylmethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride has a molecular weight of 303.72 g/mol, XLogP of 0.76, 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;hydrochloride is sourced from PubChem (CID 11558541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).