Cas no 29884-64-8 (Butanal, 2,3,4-trihydroxy-, (2R,3S)-rel-)
29884-64-8 structure
Product Name:Butanal, 2,3,4-trihydroxy-, (2R,3S)-rel-
CAS No:29884-64-8
MF:C4H8O4
MW:120.103921890259
CID:1439622
PubChem ID:439665
Update Time:2025-04-20
Butanal, 2,3,4-trihydroxy-, (2R,3S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Butanal, 2,3,4-trihydroxy-, (2R,3S)-rel-
- Butanal, 2,3,4-trihydroxy-, (2S,3R)-
- D-(-)-Threose
- NS00078950
- (+/-)-Threose
- DTXSID101017421
- CHEBI:28587
- DL-Threose
- Threose, DL-
- YTBSYETUWUMLBZ-QWWZWVQMSA-N
- NS00078801
- D-Threo-tetrose
- 9B9D25D1-BACD-403A-8BFD-5F1BEFD8B9B3
- J-200001
- 4EHO9A06LX
- T3649
- Threose
- EINECS 202-418-0
- (2S,3R)-2,3,4-Trihydroxy-butanal; [S-(R*,S*)]-2,3,4,-Trihydroxy-butanal; D-(-)-Threose;
- Threose, (+/-)-
- 95-43-2
- UNII-4EHO9A06LX
- B74AT64234
- (2S,3R)-2,3,4-trihydroxybutanal
- BS-33313
- 29884-64-8
- Q423233
- AKOS015905458
- D-Threose (~0.4 M aqueous solution)
- D-THREOSE [MI]
- SCHEMBL23308
- Threose, D-
- UNII-B74AT64234
- D-Threose
- GEO-04658
-
- Inchi： 1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m1/s1
- InChI Key： YTBSYETUWUMLBZ-QWWZWVQMSA-N
- SMILES： O[C@H](CO)[C@@H](C=O)O
Computed Properties
- Exact Mass: 120.042
- Monoisotopic Mass: 120.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 72.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8A^2
- XLogP3: -2.2
Experimental Properties
- Color/Form: 易潮解的晶體
- Density: 1.41
- Boiling Point: 311.1°Cat760mmHg
- Flash Point: 156.2°C
- Refractive Index: 1.619
- PSA: 69.92000
- LogP: -1.94320
Butanal, 2,3,4-trihydroxy-, (2R,3S)-rel- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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