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  2. 5988-19-2
L-Dihydroorotic acid | 5988-19-2

Product Name:L-Dihydroorotic acid

CAS No:5988-19-2
MF:C5H6N2O4
MW:158.1121
MDL:MFCD00085339
CID:46311
PubChem ID:439216
Names and Identifiers
  • (S)-2,6-Dioxohexahydropyrimidine-4-carboxylic acid
  • L-4,5-Dihydroorotic acid~(S)-(+)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid
  • L-Dihydroorotic acid
  • L-Hydroorotic Acid
  • L-4,5-dihydroorotic acid
  • (S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid
  • L-4
  • [ "L-4", "5-Dihydroorotic acid" ]
  • L-dihydroorotate
  • (S)-dihydroorotic acid
  • Dihydro-L-orotic acid
  • (S)-dihydroorotate
  • Dihydroorotic acid
  • (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid
  • L-5,6-dihydroorotic acid
  • (S)-4,5-Dihydroorotate
  • 4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (4S)-
  • (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
  • 4LPL64ZNA5
  • (S)-4,5-dihydroorotic acid
  • dihydro-L-orotate
  • L-Dihydroo
  • UFIVEPVSAGBUSI-REOHCLBHSA-N
  • bmse000342
  • CS-W016211
  • UNII-4LPL64ZNA5
  • DS-1272
  • AM20100462
  • 1xge
  • EN300-215912
  • 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid
  • CHEBI:17025
  • L-Hydroorotic acid
  • SCHEMBL417324
  • A832525
  • Z1198153153
  • L-Dihydroorotic acid, >=99%
  • MFCD00085339
  • Hydroorotic acid, L-
  • Orotic acid, 4,5-dihydro-
  • Orotic acid, dihydro-, l-
  • s6111
  • NS00015258
  • Q27093197
  • HY-W015495
  • 5988-19-2
  • DB02129
  • AKOS006237846
  • 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid- (L)-
  • AC-23957
  • DTXSID30331399
  • C00337
  • B6065778-D9A6-498E-9226-03E068EAF3F9
  • DOR
  • hexahydro-2,6-dioxo-4-Pyrimidinecarboxylic acid
  • Q-101528
  • Hydroorotic acid L-form [MI]
  • 4,5-dihydro-L-orotate
  • Dihydroorotate
  • (S)-4,5-dihydroorotate
  • MDL:MFCD00085339
  • InChIKey:UFIVEPVSAGBUSI-REOHCLBHSA-N
  • Inchi:1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
  • SMILES:O([H])C([C@]1([H])C([H])([H])C(N([H])C(N1[H])=O)=O)=O
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 158.03300
  • 氢键供体数量: 3
  • 氢键受体数量: 4
  • 可旋转化学键数量: 1
  • 同位素质量: 158.033
  • 重原子数量: 11
  • 复杂度: 225
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 1
  • 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): -1.5
  • 互变异构体数量: 8
  • 表面电荷: 0
  • 拓扑分子极性表面积: 95.5

Experimental Properties

  • LogP: -0.67330
  • PSA: 95.50000
  • 折射率: 1.5090 (estimate)
  • 水溶性: Soluble in water (partly), and dimethyl formamide.
  • 沸点: 283.16°C (rough estimate)
  • 熔点: 254-255 ºC (dec.)
  • 颜色与性状: Powder
  • 溶解性: 未确定
  • 比旋光度: +33°, c = 1 in 1% NaHCO3
  • 密度: 1.523
Security Information
  • WGK Germany:3
  • 安全术语:S26;S36
  • 安全说明:S26-S36
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危害声明:H315-H319-H335
  • 警示性声明:P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
  • 储存条件:Sealed in dry,2-8°C
  • 危险类别码:R36/37/38
  • 信号词:Warning
Customs Data
  • 海关编码:2934999001
  • 海关数据:

    中国海关编码:

    2934999001
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