Cas no 217975-02-5 (1,2,3,4-Butanetetrol, 2-(hydroxymethyl)-, (3R)-)
217975-02-5 structure
Product Name:1,2,3,4-Butanetetrol, 2-(hydroxymethyl)-, (3R)-
CAS No:217975-02-5
MF:C5H12O5
MW:152.145782470703
CID:1404092
PubChem ID:10820745
Update Time:2025-04-20
1,2,3,4-Butanetetrol, 2-(hydroxymethyl)-, (3R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,4-Butanetetrol, 2-(hydroxymethyl)-, (3R)-
- 217975-02-5
- (R)-2-(hydroxymethyl)erythritol
- Q27121134
- SCHEMBL918481
- CHEBI:48307
- (3R)-2-(hydroxymethyl)butane-1,2,3,4-tetrol
- DTXSID601244592
- L-Apiitol
- (R)-2-(hydroxymethyl)-1,2,3,4-butanetetrol
- (+)-(3R)-Hydroxymethylbutane-1,2,3,4-tetrol
-
- Inchi: 1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2/t4-/m1/s1
- InChI Key: SDXWEZQDLHNYFR-SCSAIBSYSA-N
- SMILES: OC(CO)(CO)[C@@H](CO)O
Computed Properties
- Exact Mass: 152.06846
- Monoisotopic Mass: 152.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 90
- 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: -3.2
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 101.15
1,2,3,4-Butanetetrol, 2-(hydroxymethyl)-, (3R)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
217975-02-5 (1,2,3,4-Butanetetrol, 2-(hydroxymethyl)-, (3R)-) Related Products
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