Basic information
- CAS
71806-55-8- Standard SMILES
N=C1C=C[C@]2(O)C[C@H](Cl)CN12- InChIKey
DVCHIDKMDZZKBR-FSPLSTOPSA-N- Molecular formula
- C7H9ClN2O
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.0403406
Overview
see also clazamycin B; structure in first source
Names & identifiers
- Preferred name
- Clazamycin A
- IUPAC
- (2S,8R)-2-chloro-5-imino-2,3-dihydro-1H-pyrrolizin-8-ol
- English name
- clazamycin A
- Molecular formula
- C7H9ClN2O
- Molecular weight
- 172.61
Names & synonyms
Clazamycin A71806-55-81H-Pyrrolizin-7a(5H)-ol, 2-chloro-2,3-dihydro-5-imino-, (2S-trans)-RefChem:126881(2S,8R)-2-chloro-5-imino-2,3-dihydro-1H-pyrrolizin-8-olClazamycin A (hydrochloride)(2S-TRANS)-2-CHLORO-5-IMINO-2,3-DIHYDRO-1H-PYRROLIZIN-7A(5H)-OL MONOHY DROCHLORIDEorb1992286(2S,7AR)-2-chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol(2S-trans)-2-Chloro-5-inino-2,3-dihydro-1H-pyrrolizin-7alpha(5H)-olAKOS030231394(5S,6aR)-5-Chloro-4,5,6,6a-tetrahydro-6a-hydroxy-3-imino-3H-3a-azapentalene
Show more names
(2S,7aR)-2α-Chloro-2,3-dihydro-5-imino-1H-pyrrolizin-7aβ(5H)-ol1H-Pyrrolizin-7a(5H)-ol, 2-chloro-2,3-dihydro-5-imino-, (2S,7aR)-
T124335
Database identifiers
- CAS
71806-55-8
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 295.841 · 295.841±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.604 · 1.604±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.766 · 9.766±0.40(predicted)
Chemistry & industry
Suppliers3 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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