Cas no 63779-58-8 ([(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid)
![[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid structure](https://ossimg.kuujia.com/scimg/64000/63779-58-8x500.png)
63779-58-8 structure
Product Name:[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid
CAS No:63779-58-8
MF:C6H13O9P
MW:260.135783910751
CID:508831
Update Time:2023-03-29
[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid Chemical and Physical Properties
Names and Identifiers
-
- D-Mannopyranose,1-(dihydrogen phosphate)
- [(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid
- D-Mannopyranose, 1-phosphate
- Mannopyranose,1-(dihydrogen phosphate), D- (8CI)
- Mannosephosphate
- Mannosyl phosphate
-
- Inchi： 1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5+,6?/m1/s1
- InChI Key： HXXFSFRBOHSIMQ-WHZQZERISA-N
- SMILES： O(P(O)(O)=O)C1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1
Computed Properties
- Exact Mass: 260.029719
- Monoisotopic Mass: 260.029719
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 277
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _3.8
- Topological Polar Surface Area: 157
[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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