13360-52-6 (α纤维二糖,alpha-cellobiose)

CAS号:
13360-52-6
中文名称:
α纤维二糖
英文名称:
alpha-cellobiose
分子式:
C12H22O11
分子量:
342.296485424042

α纤维二糖(13360-52-6)名称与标识符

名称

英文别名:
alpha-cellobiose;.β.-Cellobiose;NSC 2559;beta-D-Cellobiose;CHEBI:36217;75E7DA6F-2B17-4FB0-A5D1-65DB9CE697EF;6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,4-triol;D(+)-Cellobiose;4-O-beta-D-Glucopyranosyl-D-glucose;delta-Cellobiose;DSSTox_RID_81272;D-Glucopyranose, 4-O-beta-D-glucopyranosyl-;D-Glucose, 4-O-beta-D-glucopyranosyl-;NCGC00095661-01;D-Glucosyl-beta-(1->4)-D-glucose;D-Glucose, 4-O-.beta.-D-glucopyranosyl-;Tox21_111512;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;4-O-beta-delta-Glucopyranosyl-delta-glucose;beta-D-Glc-(1-4)-D-Glc;delta-Glucosyl-beta-(1-4)-delta-glucose;4-Beta-delta-Glucopyranosyl-delta-glucopyranose;AI3-18877;CHEMBL1231670;4-(beta-delta-Glucosido)-delta-glucose;4-O-beta-D-glucopyranosyl-beta-D-glucopyranose;AM83979;EINECS 208-436-5;Cellose;D-Cellobiose;4-(beta-D-Glucosido)-D-glucose;beta-D-Glc-(1-->4)-D-Glc;4-beta-D-glucopyranosyl-D-glucopyranose;GEO-04676;Glcbeta1-4Glcbeta;1z3t;beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose;Q27104340;beta-Cellobiose;beta-D-glucosyl-(1->4)-beta-D-glucose;beta-D-glucopyranose, 4-O-beta-D-glucopyranosyl-;4-(b-D-Glucosido)-D-glucose;D-Glucosyl-b-(1->4)-D-glucose;DSSTox_CID_25984;1qi0;AKOS024462559;Cellobiose (8CI);1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol;528-50-7;DSSTox_GSID_45984;beta-D-Glcp-(1->4)-beta-D-Glcp;MFCD00136034;2rfy;delta-(+)-Cellobiose;D-Glucosyl-beta-(1-4)-D-glucose;AS-11681;delta-Glucosyl-beta-(1->4)-delta-glucose;Glcb1-4Glcb;UNII-BM3MOX055H;C06422;CAS-528-50-7;cellobiose;DTXSID00873933;4-(b-delta-Glucosido)-delta-glucose;D-(+)-Cellobiose;beta-D-Glc-(1->4)-beta-D-Glc;SCHEMBL21348;4-O-b-D-Glucopyranosyl-D-glucose;D-Glucose, 4-O-beta-D-glucopyranosyl- (6CI,9CI);

标识符

MDL:
MFCD00064070
InChIKey:
GUBGYTABKSRVRQ-QRZGKKJRSA-N
Inchi:
1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)O

α纤维二糖(13360-52-6)物化性质

计算特性

  • 精确分子量 : 342.11621151g/mol
  • 氢键供体数量 : 8
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 4
  • 同位素质量 : 342.11621151g/mol
  • 重原子数量 : 23
  • 复杂度 : 382
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 不确定原子立构中心数量 : 0
  • 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) : -4.7
  • 拓扑分子极性表面积 : 190Ų

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