Basic information
- CAS
122001-32-5- Standard SMILES
C[C@@H]1O[C@@H](Oc2ccc(CC#N)cc2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
OBJREHLZEIEGDU-CNJBRALLSA-N- Molecular formula
- C14H17NO5
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.11067264
Overview
Niazirin is a glycoside.
Names & identifiers
- Preferred name
- Niazirin
- IUPAC
- 2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile
- English name
- 4-(rhamnosyloxy)phenylacetonitrile
- Molecular formula
- C14H17NO5
- Molecular weight
- 279.29
Names & synonyms
niazirin122001-32-54-(Rhamnosyloxy)phenylacetonitrile2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrileDTXSID601534652-(4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl)acetonitrile4-RMOPANRefChem:165641DTXCID40759564-(alpha-L-Rhamnosyloxy)phenylacetonitrile4-((6-Deoxy-alpha-L-mannopyranosyl)oxy)benzeneacetonitrileNiazirine
Show more names
Benzeneacetonitrile, 4-[(6-deoxy-α-L-mannopyranosyl)oxy]-
2-[4-(3,4,5-Trihydroxy-6-methyloxan-2-yl)oxyphenyl]acetonitrile(4-((6-Deoxy-alpha-L-mannopyranosyl)oxy)phenyl)acetonitrile{4-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]phenyl}acetonitrileCHEMBL446981orb1682016SCHEMBL4652379CHEBI:191636Benzeneacetonitrile, 4-((6-deoxy-alpha-L-mannopyranosyl)oxy)-
Database identifiers
- CAS
122001-32-5- PubChem CID
- 129556
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 510.3 · 510.3±50.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesNiazirin (Compound 1) is isolated from the natural Mminga oleiferaleaves[1].
Suppliers18 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
南宁赛菲尔生物科技有限公司18877121284;15078879878 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences[email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
广州麦克斯药物研究有限公司13405898415 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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