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

C11H19N3O5 — CID 134878515

IUPAC(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol
SMILESC=CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C11H19N3O5/c1-2-3-4-5-18-11-8(13-14-12)10(17)9(16)7(6-15)19-11/h2,7-11,15-17H,1,3-6H2/t7-,8-,9+,10-,11?/m1/s1
InChIKeyKOQTXQCJAQOXOX-YBTJCZCISA-N
MW273.29 g/mol
LogP0.09
Rot. Bonds7

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

(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol (PubChem CID 134878515) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol
PubChem CID134878515
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol
SMILESC=CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C11H19N3O5/c1-2-3-4-5-18-11-8(13-14-12)10(17)9(16)7(6-15)19-11/h2,7-11,15-17H,1,3-6H2/t7-,8-,9+,10-,11?/m1/s1
InChIKeyKOQTXQCJAQOXOX-YBTJCZCISA-N
XLogP0.09
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
CID 14464064
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56683097
[(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,4R,5S,6R)-3-acetyloxy-4,5-diazido-6-dec-9-enoxyoxan-2-yl]methyl acetate
CID 102007728
2-[(2R,3R,4R,5S,6R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170170074
(2R,3S,5R)-2-(3-azidopropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71167926
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(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,4S,5S)-2-(8-azidooctoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 172509438

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol (CID 134878515) is (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol is C=CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol?
The InChIKey is KOQTXQCJAQOXOX-YBTJCZCISA-N. The full InChI is InChI=1S/C11H19N3O5/c1-2-3-4-5-18-11-8(13-14-12)10(17)9(16)7(6-15)19-11/h2,7-11,15-17H,1,3-6H2/t7-,8-,9+,10-,11?/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol?
(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol has a molecular weight of 273.29 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol is sourced from PubChem (CID 134878515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).