Cas no 5652-45-9 (6-deoxy-D-allose)
6-deoxy-D-allose structure
Product Name:6-deoxy-D-allose
CAS No:5652-45-9
MF:C6H12O5
MW:164.156482696533
CID:1598765
PubChem ID:6453351
Update Time:2025-04-21
6-deoxy-D-allose Chemical and Physical Properties
Names and Identifiers
-
- 6-deoxy-D-allose
- Allose, 6-deoxy-
- 6-deoxyallose
- DTXSID601019210
- 5652-45-9
- 4348-84-9
- (2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
- DTXSID001019212
- Allomethylose
- SCHEMBL1746829
-
- Inchi: 1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5-,6+/m1/s1
- InChI Key: PNNNRSAQSRJVSB-MOJAZDJTSA-N
- SMILES: O[C@H]([C@@H](C)O)[C@H]([C@H](C=O)O)O
Computed Properties
- Exact Mass: 164.06846
- Monoisotopic Mass: 355.105587
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 562
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83.1
- XLogP3: -2.4
Experimental Properties
- Density: 1.41
- Boiling Point: 399.1°C at 760 mmHg
- Flash Point: 209.3°C
- Refractive Index: 1.53
- PSA: 97.99
6-deoxy-D-allose Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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