63779-58-8 (([(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid)

快速询单

结构式：

[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acidMOL文件

CAS号：

63779-58-8

英文名称：

[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid

分子式：

C₆H₁₃O₉P

分子量：

260.135783910751

[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid(63779-58-8)名称与标识符

名称

英文别名：

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;

标识符

InChIKey：

HXXFSFRBOHSIMQ-WHZQZERISA-N

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

SMILES：

O(P(O)(O)=O)C1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1

[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid(63779-58-8)物化性质

计算特性

精确分子量 : 260.029719
氢键供体数量 : 6
氢键受体数量 : 9
可旋转化学键数量 : 3
同位素质量 : 260.029719
重原子数量 : 16
复杂度 : 277
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : _3.8
拓扑分子极性表面积 : 157

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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(63779-58-8)名称与标识符

名称

标识符

[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid(63779-58-8)物化性质

计算特性

[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphon ic acid(63779-58-8)相关文献

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