Cas no 1518-54-3 (D-erythro-Pentonicacid, 3-deoxy-2-C-(hydroxymethyl)-)
1518-54-3 structure
Product Name:D-erythro-Pentonicacid, 3-deoxy-2-C-(hydroxymethyl)-
CAS No:1518-54-3
MF:C6H12O6
MW:180.155882835388
CID:185303
PubChem ID:23617516
Update Time:2025-04-19
D-erythro-Pentonicacid, 3-deoxy-2-C-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- D-erythro-Pentonicacid, 3-deoxy-2-C-(hydroxymethyl)-
- (2S,4S)-2,4,5-trihydroxy-2-(hydroxymethyl)pentanoic acid
- ISOSACCHARINIC ACID
- α-D-Isosaccharinic acid
- α-D-Glucoisosaccharinic acid
- 2-Hydroxymethyl-3-deoxy-D-erythro-pentonic acid
- 3-Deoxy-2-C-(hydroxymethyl)-D-erythro-pentonic acid
- 3-deoxy-2-c-hydroxymethyl-d-erythro-pentonic acid
- 2-(hydroxy-methyl)-3-deoxy-d-erythro-pentonic acid
- DTXSID10934347
- 2Z6W76T3BN
- .ALPHA.-D-GLUCOISOSACCHARINIC ACID
- Q6086309
- D-gluco-Isosaccharinic acid
- 1518-54-3
- SCHEMBL7149057
- .ALPHA.-ISOSACCHARINIC ACID
- D-erythro-Pentonic acid, 3-deoxy-2-C-(hydroxymethyl)-
- 2,4,5-trihydroxy-2-(hydroxymethyl)pentanoic acid
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- Inchi： 1S/C6H12O6/c7-2-4(9)1-6(12,3-8)5(10)11/h4,7-9,12H,1-3H2,(H,10,11)/t4-,6-/m0/s1
- InChI Key： SGOVJIDEXZEOTB-NJGYIYPDSA-N
- SMILES： O[C@](C(=O)O)(CO)C[C@@H](CO)O
Computed Properties
- Exact Mass: 180.063
- Monoisotopic Mass: 180.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 158
- 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: 118A^2
- XLogP3: -2.6
Experimental Properties
- Density: 1.599
- Boiling Point: 583.8°Cat760mmHg
- Flash Point: 320.9°C
- Refractive Index: 1.579
D-erythro-Pentonicacid, 3-deoxy-2-C-(hydroxymethyl)- Related Literature
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Laura Reyes,Clémence Nikitine,Léa Vilcocq,Pascal Fongarland Green Chem. 2020 22 8097
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Laura Reyes,Clémence Nikitine,Léa Vilcocq,Pascal Fongarland Green Chem. 2020 22 8097
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3. Configurations of saccharinic acids. The structure of 2-C-hydroxymethyl-2,2′-O-cyclohexylidene-3-deoxy-5-O-(p-bromobenzenesulphonyl)-D-erythro-pentono-1,4-lactoneDavid L. Hughes,James Trotter,John Howard J. Chem. Soc. B 1970 983
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Krishna Hassomal Birjkumar,Nicholas D. Bryan,Nikolas Kaltsoyannis Dalton Trans. 2012 41 5542
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5. Phosphorylated sugars. Part XIX. Synthesis of 3-deoxy-D-glycero-pent-2-ulosonic acid 5-(dihydrogen phosphate)Fran?ois Trigalo,Ladislas Szabó J. Chem. Soc. Perkin Trans. 1 1975 604
1518-54-3 (D-erythro-Pentonicacid, 3-deoxy-2-C-(hydroxymethyl)-) Related Products
- 5949-29-1(Citric acid monohydrate)
- 6100-05-6(Potassium citrate monohydrate)
- 10402-15-0(Copper Citrate)
- 866-83-1(Potassium Citrate Monobasic)
- 77-92-9(Citric acid)
- 77-95-2(D(-)-Quinic Acid)
- 3012-65-5(Diammonium hydrogen citrate)
- 1123-28-0(1-Hydroxycyclohexanecarboxylic acid)
- 6205-14-7(Hydroxycitric Acid (Technical Grade))
- 7778-49-6(Potassium citrate)
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