(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol

C9H15N3O5 — CID 14464064

IUPAC(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H15N3O5/c1-2-3-16-9-6(11-12-10)8(15)7(14)5(4-13)17-9/h2,5-9,13-15H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyLRBIYZNGCMXYRF-SYHAXYEDSA-N
MW245.24 g/mol
LogP-0.69
Rot. Bonds5

About (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol

(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol (PubChem CID 14464064) has the molecular formula C9H15N3O5 and a molecular weight of 245.24 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
PubChem CID14464064
Molecular FormulaC9H15N3O5
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H15N3O5/c1-2-3-16-9-6(11-12-10)8(15)7(14)5(4-13)17-9/h2,5-9,13-15H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyLRBIYZNGCMXYRF-SYHAXYEDSA-N
XLogP-0.69
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol
CID 134878515
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
[(2R,3R,4R,5S,6R)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 56964836
[(3R,4R,5R,6R)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 101340733
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
CID 165180114
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264111

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol (CID 14464064) is (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol is C=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
The InChIKey is LRBIYZNGCMXYRF-SYHAXYEDSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-2-3-16-9-6(11-12-10)8(15)7(14)5(4-13)17-9/h2,5-9,13-15H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol has a molecular weight of 245.24 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol is sourced from PubChem (CID 14464064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).