Basic information
- CAS
5285-25-6- Standard SMILES
CCCCCCCC1CC(=O)NC(CO)C(=O)OC(CCCCCCC)CC(=O)NC(CO)C(=O)O1- InChIKey
NMEMNUVHBNAERZ-UHFFFAOYSA-N- Molecular formula
- C26H46N2O8
- Average molar mass
- 514.7 g/mol
- Monoisotopic mass
- 514.32541643
Overview
7,14-Diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone has been reported in Serratia with data available.
Names & identifiers
- Preferred name
- Serratomolide
- IUPAC
- 7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
- English name
- serratamolide
- Molecular formula
- C26H46N2O8
- Molecular weight
- 514.66
Names & synonyms
SerratomolideSCHEMBL6243658DTXSID10967317NSC81415NSC-814157,14-Diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone7,14-Diheptyl-5,12-dihydroxy-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradeca-4,11-diene-2,9-dioneserratamolideCyclo[(3R)-3-hydroxydecanoyl-L-seryl-(3R)-3-hydroxydecanoyl-L-seryl]
Database identifiers
- CAS
5285-25-6- PubChem CID
- 255709
- DTXSID
DTXSID10967317- Nikkaji
- J2.603.416G、J779.545I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Melting point
- 159 · 159-160 °C
- Boiling point
- 817.1 · 817.1±65.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 12.58 · 12.58±0.70(Predicted)
Chemistry & industry
Suppliers4 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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