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(2R,3R)-(-)-O,O'-Dibenzoyltartaric Acid Monohydrate | 62708-56-9

Product Name:(2R,3R)-(-)-O,O'-Dibenzoyltartaric Acid Monohydrate

CAS No:62708-56-9
MF:C18H14O8
MW:358.2990
MDL:MFCD00149119
CID:57914
PubChem ID:24860366
Names and Identifiers
  • (2R,3R)-2,3-Bis(benzoyloxy)succinic acid hydrate
  • O,O'-Dibenzoyl-d-Tartaric acid Anhydrous
  • (-)-O,O''-DIBENZOYL-L-WEINSUREMONOHYDRAT
  • DIBENZOYL-L-TARARIC ACID MOTOHYDRATE
  • L-(-)DIBENZOYL-L-TARTARIC ACID 1-HYDRATE
  • (2S,3S)-2,3-bis(benzoyloxy)succinic acid hydrate
  • (-)-O,O'-DIBENZOYL-L-TARTARIC ACID HYDRATE
  • (-)-O,O'-DIBENZOYL-L-TARTARIC ACID MONOHYDRATE
  • (2R,3R)-(-)-DI-O-BENZOYL-TARTARIC ACID MONOHYDRATE
  • (-)-Dibenzoyl-L-tartaric acid monohydrate
  • (-)-O,O′-Dibenzoyl-L-tartaric acid monohydrate
  • Dibenzoyl-L-tartaric acid monohydrate
  • L-DBTA
  • (-)-Dibenzoyl-L-tart
  • (-)-DIBENZOYL-L-TARTARIC ACID H2O
  • (-)-O,O'-DIBENZOYL-L-WEINSUREMONOHYDRAT
  • DIBENZOYL-L-TARARIC ACID M
  • Dibenzoyl-L-tartricacid monohydrate
  • DI-O-BENZOYL-L-TARTARIC ACID
  • L-(-)-DBTA H2O
  • L-(-)-DBTA.2H2O
  • L-O,O'-dibenzoyltartaric acid hydrate
  • O,O'-dibenzoyl-(2R,3R)-tartaric acid monohydrate
  • O,O'-dibenzoyl-Lg-tartaric acid,monohydrate
  • Dibenzoyl-L-tartaric acid
  • (2R,3R)-2,3-bis(benzoyloxy)succinic acid
  • Dibenzoyltartaric acid
  • (-)-Dibenzoyl-L-tartaric acid
  • Dibenzoyl-L-tartaricacid
  • L-Dibenzoyl tartaric acid
  • Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-
  • 2,3-Bis(benzoyloxy)tartaric acid
  • Tartaric acid, dibenzoate, (-)-
  • O,O-Dibenzoyl-(+)-tartaric acid
  • (-)-Dibenzoyl-L(+)-tartaric acid
  • Tartaric acid, dibenzoate
  • (2R,3R)-2,3-dibenzoyloxybutanedioic acid
  • Dibenzoyl d-tarta
  • (-)-Dibenzoyl-L-tartaric Acid Monohydrate
  • (-)-O,O'-Dibenzoyl-L-tartaric acid monohydrate
  • (2R,3R)-(-)-O,O'-Dibenzoyltartaric Acid Monohydrate
  • MDL:MFCD00149119
  • InChIKey:YONLFQNRGZXBBF-ZIAGYGMSSA-N
  • Inchi:1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
  • SMILES:O(C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)[C@@]([H])(C(=O)O[H])[C@]([H])(C(=O)O[H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O
  • BRN:0709854
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 376.07900
  • 氢键供体数量: 2
  • 氢键受体数量: 8
  • 可旋转化学键数量: 9
  • 同位素质量: 356.053
  • 重原子数量: 26
  • 复杂度: 483
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 2
  • 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): 3.9
  • 表面电荷: -2
  • 拓扑分子极性表面积: 127

Experimental Properties

  • LogP: 1.54250
  • PSA: 136.43000
  • 折射率: -108.5 ° (C=1, EtOH)
  • 水溶性: 溶解
  • 沸点: 669.9 ℃ at 760 mmHg
  • 熔点: 87.0 to 92.0 deg-C
  • 闪点: 358.9 °C
  • 颜色与性状: 白色固体。
  • 溶解性: 未确定。
  • 敏感性: 对湿度敏感
  • 比旋光度: -115 º (c=5, ethanol)
  • 光学活性: [α]20/D −110±3°, c = 5% in ethanol
Security Information
  • Symbol: GHS07
  • RTECS号:WW8070000
  • WGK Germany:3
  • 安全术语:S26;S37/39
  • 安全说明:S26-S36-S37/39
  • 风险术语:R36
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H319
  • 警示性声明:P305+P351+P338
  • 提示语:警告
  • 储存条件:Store at room temperature
  • 危险类别码:36
  • 信号词:Warning
  • TSCA:Yes
  • FLUKA BRAND F CODES:3
Customs Data
  • 海关编码:29181990
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