(2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol

C10H22NO7P — CID 11087851

IUPAC(2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCCOP(=O)(OCC)[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H22NO7P/c1-3-17-19(16,18-4-2)10-9(15)8(14)7(13)6(5-12)11-10/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyAEJKUMHUZAOBSO-SPFKKGSWSA-N
MW299.26 g/mol
LogP-1.37
Rot. Bonds6

About (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol

(2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 11087851) has the molecular formula C10H22NO7P and a molecular weight of 299.26 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID11087851
Molecular FormulaC10H22NO7P
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name(2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCCOP(=O)(OCC)[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H22NO7P/c1-3-17-19(16,18-4-2)10-9(15)8(14)7(13)6(5-12)11-10/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyAEJKUMHUZAOBSO-SPFKKGSWSA-N
XLogP-1.37
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol (CID 11087851) is (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol is CCOP(=O)(OCC)[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is AEJKUMHUZAOBSO-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H22NO7P/c1-3-17-19(16,18-4-2)10-9(15)8(14)7(13)6(5-12)11-10/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol?
(2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 299.26 g/mol, XLogP of -1.37, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-diethoxyphosphoryl-6-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 11087851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).