Basic information
- CAS
24730-31-2- Standard SMILES
CC(C)CCCCCCCCCC1CC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O1- InChIKey
NJGWOFRZMQRKHT-VCSJJJAWSA-N- Molecular formula
- C53H93N7O13
- Average molar mass
- 1,036.3 g/mol
- Monoisotopic mass
- 1,035.68313605
Overview
antineoplastic product isolated from Bacillus sp.
Names & identifiers
- Preferred name
- Surfactin peptide
- IUPAC
- 3-[(9S,12S,15R,18S,21R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
- English name
- SURFACTIN
- Molecular formula
- C53H93N7O13
- Molecular weight
- 1036.36
Names & synonyms
surfactin peptideRefChem:186823SCHEMBL29557742surfactin CSurfactin C1Ecoteric ETetronic 904toxBabs9122SURFACTINTeric G9A6BIP surkoface
Show more names
ARADUR? 3986 BD
Database identifiers
- CAS
24730-31-2- PubChem CID
- 65307
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 305 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 24
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,800
Physicochemical properties
- Melting point
- 140 · 140-144°C
- Boiling point
- 1268.3 · 1268.3±65.0 °C(Predicted)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL, · ethanol: 10 mg/mL, clear, slightly yellow
- pka
- 4 · 4.00±0.10(Predicted)
- form
- powder
- color
- white to faint yellow
- Water Solubility
- 31.25 mg/mL · Water: 31.25 mg/mL (30.15 mM)
- Stability
- 10 ℃ · Stable, but store below 10℃. Incompatible with strong oxidizing agents.
- InChIKey
- NJGWOFRZMQRKHT-AUSFEWRONA-N
- WGK Germany
- 3 · 3
- F
- 10 · 10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesSurfactin is a lipopeptide antibiotic and biosurfactant.
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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