Cas no 26924-74-3 (Deacetoxycephalosporin C)
Deacetoxycephalosporin C structure
Product Name:Deacetoxycephalosporin C
CAS No:26924-74-3
MF:C14H19N3O6S
MW:357.382162332535
MDL:MFCD01682043
CID:272897
PubChem ID:160139
Update Time:2025-09-21
Deacetoxycephalosporin C Chemical and Physical Properties
Names and Identifiers
-
- (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3-methyl-8-oxo-, (6R,7R)-
- 7-((5-Amino-5-carboxy-1-oxopentyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-(6alpha,7beta(R*)))-
- DTXSID00181424
- C06565
- Deacetoxycephalosporin C (TFA)
- (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Antibiotic WS 3442A
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(R*)))-
- DEACETOXYCEPHALOSPORIN-C
- Deacetoxycephalosphorin C
- EN300-26936371
- Deacetoxycephalosporin C
- (6R, 7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- De(acetyloxy)cephalosporin C
- Q27102924
- WS-3442-A
- CHEBI:18229
- NNQIJOYQWYKBOW-JWKOBGCHSA-N
- P1C
- DB03938
- NS00069806
- 26924-74-3
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-methyl-8-oxo-
- Desacetoxycephalosphorin C
- DAOC
- (6R,7R)-7-[(5R)-5-amino-5-carboxypentanamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
-
- MDL： MFCD01682043
- Inchi： 1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1
- InChI Key： NNQIJOYQWYKBOW-JWKOBGCHSA-N
- SMILES： S1CC(C)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(CCC[C@H](C(=O)O)N)=O)=O
Computed Properties
- Exact Mass: 357.09957
- Monoisotopic Mass: 357.099456
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 620
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: nothing
- Topological Polar Surface Area: 175
Experimental Properties
- Density: 1.54
- Boiling Point: 786.3°Cat760mmHg
- Flash Point: 429.3°C
- Refractive Index: 1.654
- PSA: 150.03
Deacetoxycephalosporin C Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D370350-500mg |
Deacetoxycephalosporin C |
26924-74-3 | 500mg |
$ 7600.00 | 2023-09-07 | ||
| Enamine | EN300-26936371-0.05g |
(6R,7R)-7-[(5R)-5-amino-5-carboxypentanamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
26924-74-3 | 95% | 0.05g |
$4679.0 | 2023-09-11 | |
| Enamine | EN300-26936371-0.1g |
(6R,7R)-7-[(5R)-5-amino-5-carboxypentanamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
26924-74-3 | 95% | 0.1g |
$5637.0 | 2023-09-11 | |
| 1PlusChem | 1P00BPAR-50mg |
deacetoxycephalosporin C |
26924-74-3 | 95% | 50mg |
$5846.00 | 2024-05-08 | |
| 1PlusChem | 1P00BPAR-100mg |
deacetoxycephalosporin C |
26924-74-3 | 95% | 100mg |
$7030.00 | 2023-12-18 |
Deacetoxycephalosporin C Related Literature
-
1. Deacetoxycephalosporin C from Streptomyces and fungiR. Nagarajan,L. D. Boeck,R. L. Hamill,C. E. Higgens,K. S. Yang J. Chem. Soc. Chem. Commun. 1974 321
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Patrick Rabe,Jos J. A. G. Kamps,Christopher J. Schofield,Christopher T. Lohans Nat. Prod. Rep. 2018 35 735
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3. On the possible role of the 3-methylene isomer of deacetoxycephalosporin C in the biosynthesis of cephalosporinsJack E. Baldwin,Bulbul Chakravarti,Mankil Jung,Narendra J. Patel,Pushpa D. Singh,John J. Usher,Carlos Vallejo J. Chem. Soc. Chem. Commun. 1981 934
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4. Cephalosporin C biosynthesis; a branched pathway sensitive to a kinetic isotope effectJack E. Baldwin,Robert M. Adlington,Robin T. Aplin,Nicholas P. Crouch,Graham Knight,Christopher J. Schofield J. Chem. Soc. Chem. Commun. 1987 1651
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5. Cephalosporin C biosynthesis; stereochemistry of the incorporation of D,L,D-α-aminodipoyl-cysteinyl-(3S)-[2-2H,4-13C]valine into β-lactam compoundsJack E. Baldwin,Robert M. Adlington,Nicholas P. Crouch,Nicholas J. Turner,Christopher J. Schofield J. Chem. Soc. Chem. Commun. 1989 1141
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