Cas no 140447-97-8 (D-glycero-b-D-allo-Octofuranuronic acid,3,7-anhydro-1,6-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)- (9CI))
140447-97-8 structure
Product Name:D-glycero-b-D-allo-Octofuranuronic acid,3,7-anhydro-1,6-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)- (9CI)
CAS No:140447-97-8
MF:C12H14N2O8
MW:314.248163700104
CID:182903
PubChem ID:3035708
Update Time:2025-04-19
D-glycero-b-D-allo-Octofuranuronic acid,3,7-anhydro-1,6-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-glycero-b-D-allo-Octofuranuronic acid,3,7-anhydro-1,6-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)- (9CI)
- (2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
- 1-(3,7-anhydro-6-deoxy-D-glycero-beta-D-allo-octofuranuronosyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
- D-glycero-beta-D-allo-Octafuranuronic acid, 3,7-anhydro-1,6-dideoxy-1-(2,3-dihydro-4-formyl-2-oxo-1H-imidazol-1-yl)-
- D-glycero-beta-D-allo-Octofuranuronic acid, 3,7-anhydro-1,6-dideoxy-1-(2,3-dihydro-4-formyl-2-oxo-1H-imidazol-1-yl)-
- Nikkomycin S(X)
- Nikkomycin SX
- Nikkomycin S-X
- DTXSID50161397
- 140447-97-8
-
- Inchi： 1S/C12H14N2O8/c15-3-4-2-14(12(20)13-4)10-7(17)9-8(22-10)5(16)1-6(21-9)11(18)19/h2-3,5-10,16-17H,1H2,(H,13,20)(H,18,19)/t5-,6+,7-,8-,9+,10-/m1/s1
- InChI Key： UUPCVEZRKOQLAH-PIAOCPBHSA-N
- SMILES： O1[C@H]([C@@H]([C@H]2[C@H]1[C@@H](C[C@@H](C(=O)O)O2)O)O)N1C(NC(C=O)=C1)=O
Computed Properties
- Exact Mass: 314.075015
- Monoisotopic Mass: 314.075015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 549
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -2.7
- Topological Polar Surface Area: 146
Experimental Properties
- Density: 1.818
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.715
D-glycero-b-D-allo-Octofuranuronic acid,3,7-anhydro-1,6-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)- (9CI) Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
140447-97-8 (D-glycero-b-D-allo-Octofuranuronic acid,3,7-anhydro-1,6-dideoxy-1-(4-formyl-2,3-dihydro-2-oxo-1H-imidazol-1-yl)- (9CI)) Related Products
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