Cas no 7757-97-3 ( )
structure
Product Name:
CAS No:7757-97-3
MF:C9H18N2O4
MW:218.250222682953
CID:983597
PubChem ID:23618825
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- UNII-2MO0ZY19DW
- Butyramide, N-(2-carbamoylethyl)-2,4-dihydroxy-3,3-dimethyl-, D-
- (2R)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
- NSC 523294
- DTXSID001167639
- D-Pantothenamide
- N-(3-Amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide, (R)-
- PANTOTHENAMIDE, D-
- 7757-97-3
- BUTANAMIDE, N-(3-AMINO-3-OXOPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYL-, (2R)-
- SCHEMBL11297494
- Butanamide, N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethyl-, (R)-
- Q27254982
- 2MO0ZY19DW
- N-(2-Carbamoylethyl)-2,4-dihydroxy-3,3-dimethylbutyramide, D-
- NSC-523294
-
-
- Inchi： 1S/C9H18N2O4/c1-9(2,5-12)7(14)8(15)11-4-3-6(10)13/h7,12,14H,3-5H2,1-2H3,(H2,10,13)(H,11,15)/t7-/m0/s1
- InChI Key： AMMYIDAXRNSZSJ-ZETCQYMHSA-N
- SMILES： O[C@@H](C(NCCC(N)=O)=O)C(C)(C)CO
Computed Properties
- Exact Mass: 218.12665706g/mol
- Monoisotopic Mass: 218.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 113?2
Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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