(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol

C7H13N3O3 — CID 10375192

IUPAC(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol
SMILESC=CCOC[C@@H](O)[C@H](CO)N=[N+]=[N-]
InChIInChI=1S/C7H13N3O3/c1-2-3-13-5-7(12)6(4-11)9-10-8/h2,6-7,11-12H,1,3-5H2/t6-,7+/m0/s1
InChIKeyOTIUFVNVVOIYRV-NKWVEPMBSA-N
MW187.20 g/mol
LogP0.22
Rot. Bonds7

About (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol

(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol (PubChem CID 10375192) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol
PubChem CID10375192
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol
SMILESC=CCOC[C@@H](O)[C@H](CO)N=[N+]=[N-]
InChIInChI=1S/C7H13N3O3/c1-2-3-13-5-7(12)6(4-11)9-10-8/h2,6-7,11-12H,1,3-5H2/t6-,7+/m0/s1
InChIKeyOTIUFVNVVOIYRV-NKWVEPMBSA-N
XLogP0.22
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,3S)-3-azidobutane-1,2,4-triol
CID 101049712
(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
(2S,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
CID 87506551
(3S,4S)-3-azido-4,5-dihydroxypentanal
CID 91421144
(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
CID 10976957
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
2-azido-3-ethylpentan-1-ol
CID 152756616
2-azido-3-bromobutane-1,4-diol
CID 72663930

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol?
The IUPAC name of (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol (CID 10375192) is (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol.
What is the SMILES notation for (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol?
The canonical SMILES for (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol is C=CCOC[C@@H](O)[C@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol?
The InChIKey is OTIUFVNVVOIYRV-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-2-3-13-5-7(12)6(4-11)9-10-8/h2,6-7,11-12H,1,3-5H2/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol?
(2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol has a molecular weight of 187.20 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-azido-4-prop-2-enoxybutane-1,3-diol is sourced from PubChem (CID 10375192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).