(2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

C10H22NO6P — CID 10755388

IUPAC(2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCOP(=O)(C[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O)OCC
InChIInChI=1S/C10H22NO6P/c1-3-16-18(15,17-4-2)6-8-10(14)9(13)7(5-12)11-8/h7-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyCONPBQIOPFXIFF-UTINFBMNSA-N
MW283.26 g/mol
LogP-0.69
Rot. Bonds7

About (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 10755388) has the molecular formula C10H22NO6P and a molecular weight of 283.26 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID10755388
Molecular FormulaC10H22NO6P
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Name(2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCOP(=O)(C[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O)OCC
InChIInChI=1S/C10H22NO6P/c1-3-16-18(15,17-4-2)6-8-10(14)9(13)7(5-12)11-8/h7-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyCONPBQIOPFXIFF-UTINFBMNSA-N
XLogP-0.69
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,5-Bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 361742
[(2R,3S,4R,5S)-5-(ethylamino)-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
CID 44444805
[(2R,3S,4R,5S)-5-(butylamino)-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
CID 44444806
[(2R,3S,4R,5S)-5-(hexylamino)-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
CID 44444807
[(2R,3S,4R,5R)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
CID 131953448
[(2S,3R,4S,5S)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
CID 131953449
[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 76325710
((2R,3R,4S)-3,4-Dihydroxypyrrolidin-2-yl)methyl dihydrogen phosphate
CID 45093316
[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-difluoromethyl]phosphonic acid
CID 11536260
[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-difluoromethyl]-ethoxyphosphinic acid
CID 11551034
[[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-difluoromethyl]-ethoxyphosphinic acid
CID 11587374
[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-difluoromethyl]-ethoxyphosphinic acid
CID 11630689

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 10755388) is (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is CCOP(=O)(C[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O)OCC.
What is the InChIKey of (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is CONPBQIOPFXIFF-UTINFBMNSA-N. The full InChI is InChI=1S/C10H22NO6P/c1-3-16-18(15,17-4-2)6-8-10(14)9(13)7(5-12)11-8/h7-14H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 283.26 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 10755388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).