Cas no 16656-02-3 (D-glycero-D-altro-2-Octulose,1,8-bis(dihydrogen phosphate))
16656-02-3 structure
Product Name:D-glycero-D-altro-2-Octulose,1,8-bis(dihydrogen phosphate)
CAS No:16656-02-3
MF:C8H18O14P2
MW:400.167645931244
CID:172985
PubChem ID:130470
Update Time:2025-04-19
D-glycero-D-altro-2-Octulose,1,8-bis(dihydrogen phosphate) Chemical and Physical Properties
Names and Identifiers
-
- D-glycero-D-altro-2-Octulose,1,8-bis(dihydrogen phosphate)
- D-glycero-D-altro-octulose 1,8-bisphosphate
- 1,8-di-O-phosphono-L-glycero-D-altro-oct-2-ulose
- 16656-02-3
- D-glycero-D-altro-octulose-1,8-bisphosphate
- DTXSID10937217
- CHEBI:77854
- D-glycero-D-altro-2-Octulose, 1,8-bis(dihydrogen phosphate)
- 1,8-Di-O-phosphonooct-2-ulose
- Q27147462
- (2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-(phosphonooxy)octyl dihydrogen phosphate
- [(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
-
- Inchi： 1S/C8H18O14P2/c9-3(1-21-23(15,16)17)5(11)7(13)8(14)6(12)4(10)2-22-24(18,19)20/h3,5-9,11-14H,1-2H2,(H2,15,16,17)(H2,18,19,20)/t3-,5+,6+,7+,8-/m0/s1
- InChI Key： FQNLKWXILWAYPZ-RMJYWKLSSA-N
- SMILES： P(=O)(O)(O)OC[C@@H]([C@H]([C@H]([C@H]([C@@H](C(COP(=O)(O)O)=O)O)O)O)O)O
Computed Properties
- Exact Mass: 400.01717924g/mol
- Monoisotopic Mass: 400.01717924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 497
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -6.7
- Topological Polar Surface Area: 252?2
D-glycero-D-altro-2-Octulose,1,8-bis(dihydrogen phosphate) Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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