(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol

C10H20N3O6P — CID 11141389

IUPAC(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol
SMILESCCOP(=O)(C[C@H]1O[C@@H](OC)[C@H](O)[C@H]1N=[N+]=[N-])OCC
InChIInChI=1S/C10H20N3O6P/c1-4-17-20(15,18-5-2)6-7-8(12-13-11)9(14)10(16-3)19-7/h7-10,14H,4-6H2,1-3H3/t7-,8+,9-,10-/m1/s1
InChIKeyJGKXXUQXUAKOSY-UTINFBMNSA-N
MW309.26 g/mol
LogP1.66
Rot. Bonds8

About (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol

(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol (PubChem CID 11141389) has the molecular formula C10H20N3O6P and a molecular weight of 309.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol
PubChem CID11141389
Molecular FormulaC10H20N3O6P
Molecular Weight309.26 g/mol
Exact Mass309.11
IUPAC Name(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol
SMILESCCOP(=O)(C[C@H]1O[C@@H](OC)[C@H](O)[C@H]1N=[N+]=[N-])OCC
InChIInChI=1S/C10H20N3O6P/c1-4-17-20(15,18-5-2)6-7-8(12-13-11)9(14)10(16-3)19-7/h7-10,14H,4-6H2,1-3H3/t7-,8+,9-,10-/m1/s1
InChIKeyJGKXXUQXUAKOSY-UTINFBMNSA-N
XLogP1.66
TPSA122.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol (CID 11141389) is (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol is CCOP(=O)(C[C@H]1O[C@@H](OC)[C@H](O)[C@H]1N=[N+]=[N-])OCC.
What is the InChIKey of (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol?
The InChIKey is JGKXXUQXUAKOSY-UTINFBMNSA-N. The full InChI is InChI=1S/C10H20N3O6P/c1-4-17-20(15,18-5-2)6-7-8(12-13-11)9(14)10(16-3)19-7/h7-10,14H,4-6H2,1-3H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol?
(2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol has a molecular weight of 309.26 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-methoxyoxolan-3-ol is sourced from PubChem (CID 11141389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).