(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol

C10H20NO6P — CID 10850384

IUPAC(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESCCOP(=O)(CC1=N[C@H](CO)[C@@H](O)[C@@H]1O)OCC
InChIInChI=1S/C10H20NO6P/c1-3-16-18(15,17-4-2)6-8-10(14)9(13)7(5-12)11-8/h7,9-10,12-14H,3-6H2,1-2H3/t7-,9-,10-/m1/s1
InChIKeyUGPAKSWZRWZYJX-SZEHBUNVSA-N
MW281.25 g/mol
LogP-0.21
Rot. Bonds7

About (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol

(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol (PubChem CID 10850384) has the molecular formula C10H20NO6P and a molecular weight of 281.25 g/mol. Its IUPAC name is (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
PubChem CID10850384
Molecular FormulaC10H20NO6P
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESCCOP(=O)(CC1=N[C@H](CO)[C@@H](O)[C@@H]1O)OCC
InChIInChI=1S/C10H20NO6P/c1-3-16-18(15,17-4-2)6-8-10(14)9(13)7(5-12)11-8/h7,9-10,12-14H,3-6H2,1-2H3/t7-,9-,10-/m1/s1
InChIKeyUGPAKSWZRWZYJX-SZEHBUNVSA-N
XLogP-0.21
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
(2S,3S,4S,5S,6R)-2-(diethoxyphosphorylmethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 135053796
2-(diethoxyphosphorylmethyl)-1,3,5-trimethylbenzene
CID 10400928
8-diethoxyphosphoryloctan-1-ol
CID 10515886
4-(diethoxyphosphorylmethyl)pyrimidine
CID 166731479
3-bromo-2-(diethoxyphosphorylmethyl)pyridine
CID 169218685
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid
CID 101233580
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
CID 166116427
CID 166116427

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The IUPAC name of (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol (CID 10850384) is (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The canonical SMILES for (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol is CCOP(=O)(CC1=N[C@H](CO)[C@@H](O)[C@@H]1O)OCC.
What is the InChIKey of (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The InChIKey is UGPAKSWZRWZYJX-SZEHBUNVSA-N. The full InChI is InChI=1S/C10H20NO6P/c1-3-16-18(15,17-4-2)6-8-10(14)9(13)7(5-12)11-8/h7,9-10,12-14H,3-6H2,1-2H3/t7-,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
(2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol has a molecular weight of 281.25 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-(diethoxyphosphorylmethyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol is sourced from PubChem (CID 10850384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).