Basic information
- CAS
129299-06-5- Standard SMILES
CO[C@@H]1[C@H](OC(N)=O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C- InChIKey
DBJJYYOGHACTNG-HGDXVPPDSA-N- Molecular formula
- C17H27NO5
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.18892296
Overview
metabolite of TNP-470; structure in first source
Names & identifiers
- Preferred name
- Agm 1883
- IUPAC
- [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] carbamate
- English name
- AGM 1883
- Molecular formula
- C17H27NO5
- Molecular weight
- 325.4
Names & synonyms
Agm 1883129299-06-5Agm-1883RefChem:110173[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] carbamateCHEMBL176975(3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-5-Methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)octan-6-ol carbamateAGM1883SCHEMBL29414433DTXSID70926369BDBM50137405AKOS040750194
Show more names
T29719(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl hydrogen carbonimidate1-Oxaspiro(2.5)octan-6-ol, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-, carbamate, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-5-Methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl hydrogen carbonimidateCarbamic acid (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-1-oxa-spiro[2.5]oct-6-yl ester
Database identifiers
- CAS
129299-06-5- PubChem CID
- 125367
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Boiling point
- 462.91 · 462.910±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.188 · 1.188±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.328 · 13.328±0.50(predicted)
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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