b-L-threo-2,3-Hexodiulo-3,6-furanosonicacid, g-lactone, 2-hydrate, bimol.cyclic 2,3':3,2'-dianhydride, (2R,2'S)- (9CI) | 72691-25-9
英文名称:
b-L-threo-2,3-Hexodiulo-3,6-furanosonicacid, g-lactone, 2-hydrate, bimol.cyclic 2,3':3,2'-dianhydride, (2R,2'S)- (9CI)
CAS No.:
72691-25-9
分子式:
C6 H6 O6
分子量:
174.10824
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:b-L-threo-2,3-Hexodiulo-3,6-furanosonicacid, g-lactone, 2-hydrate, bimol.cyclic 2,3':3,2'-dianhydride, (2R,2'S)- (9CI)结构式
名称和标识符
MDL
MFCD00066467
InChIKey
SBJKKFFYIZUCET-JLAZNSOCSA-N
Inchi
InChI=1S/C12H12O12/c13-3-1-19-11-5(3)21-7(15)9(11,17)23-10(18)8(16)22-6-4(14)2-20-12(6,10)24-11/h3-6,13-14,17-18H,1-2H2
SMILES
C1C(C2C3(O1)C(C(=O)O2)(OC4(C(=O)OC5C4(O3)OCC5O)O)O)O
别名信息
- 英文别名 -
b-L-threo-2,3-Hexodiulo-3,6-furanosonicacid, g-lactone, 2-hydrate, bimol.cyclic 2,3':3,2'-dianhydride, (2R,2'S)- (9CI)
Dehydro-L-(+)-ascorbic acid dimer
Bis(dehydro-L-ascorbic acid)
Bis-DHA
DHA
dehydroascorbic acid dimer
MUYNUOXIHSNESP-UHFFFAOYSA-N
CHEBI:132138
3,5a,6a,9-tetrahydroxytetrahydro-2H,8aH-furo[2',3':4,5]furo[3,4-b]furo[3',2':2,3]furo[3,4-e][1,4]dioxine-5,7(5aH,6aH)-dione
Dehydroascorbic acid, dimer
6,10,12,16-tetrahydroxy-2,4,8,11,14,18-hexaoxapentacyclo[10.6.0.01,15.03,7.03,10]octadecane-9,13-dione
HY-154920
CS-0857303
DEHYDRO-L-(+)-ASCORBIC ACID DIMER
DTXSID601036482
72691-25-9
物化性质
计算特性
精确分子量
348.03287581g/mol
氢键供体数量
4
氢键受体数量
12
可旋转化学键数量
0
同位素质量
348.03287581g/mol
重原子数量
24
复杂度
612
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
8
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)
-4.3
拓扑分子极性表面积
170Ų
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b-L-threo-2,3-Hexodiulo-3,6-furanosonicacid, g-lactone, 2-hydrate, bimol.cyclic 2,3':3,2'-dianhydride, (2R,2'S)- (9CI)推荐生产厂家