Cas no 130971-02-7 (2-Butanone,3-hydroxy-4-(phosphonooxy)-, (3S)-)
130971-02-7 structure
Product Name:2-Butanone,3-hydroxy-4-(phosphonooxy)-, (3S)-
CAS No:130971-02-7
MF:C4H9O6P
MW:184.084422826767
CID:139650
PubChem ID:14056322
Update Time:2025-04-19
2-Butanone,3-hydroxy-4-(phosphonooxy)-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,3-hydroxy-4-(phosphonooxy)-, (3S)-
- [(2R)-2-hydroxy-3-oxobutyl] dihydrogen phosphate
- 3,4-dihydroxy-2-butanone-4-phosphate
- (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate
- 2-Butanone, 3-hydroxy-4-(phosphonooxy)-, (S)-
- 3,4-Dhbp
- (2S)-2-hydroxy-3-oxobutyl phosphate
- 130971-02-7
- L-3,4-dihydroxybutan-2-one 4-phosphate
- Q27122140
- (3S)-3-Hydroxy-4-(phosphonooxy)-2-butanone
- DTXSID30156822
- (S)-3-hydroxy-4-(phosphonooxy)-2-butanone
- 1-deoxy-L-glycero-tetrulose 4-phosphate
- (2S)-2-hydroxy-3-oxobutyl dihydrogen phosphate
- (3S)-3-hydroxy-4-(phosphonooxy)butan-2-one
- CHEBI:50608
- 2-Hydroxy-3-oxobutyl phosphate
- 3,4-Dihydroxy-2-butanone 4-phosphate
-
- Inchi： 1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m0/s1
- InChI Key： OKYHYXLCTGGOLM-BYPYZUCNSA-N
- SMILES： P(=O)(O)(O)OC[C@@H](C(C)=O)O
Computed Properties
- Exact Mass: 184.01367
- Monoisotopic Mass: 184.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 183
- 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
- Topological Polar Surface Area: 104A^2
- XLogP3: -2.5
Experimental Properties
- Density: 1.599
- Boiling Point: 425.2°Cat760mmHg
- Flash Point: 210.9°C
- Refractive Index: 1.499
- PSA: 104.06
- LogP: -0.95440
2-Butanone,3-hydroxy-4-(phosphonooxy)-, (3S)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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