小分子和化合物库

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9 项目

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  1. 1-十六进制-d₃₃-醇
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 284474-73-3       
    分子式: CD3(CD2)14CD2OH        分子量: 275.64
    IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecan-1-ol
    SMILES: CCCCCCCCCCCCCCCCO
    InChIKey: BXWNKGSJHAJOGX-TUWMXWROSA-N
    InChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
  2. L-丙氨酸-2,3,3,3-d₄
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 18806-29-6        Compound CID : 12205373
    分子式: CD3CD(NH2)CO2H        分子量: 93.12
    IUPAC Name: (2S)-2-amino-2,3,3,3-tetradeuteriopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-IALWIIEESA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3,2D
  3. L-丙氨酸-¹³C₃,¹⁵N
      规格或纯度 :
    • ≥98 atom% 15N,≥98 atom% 13C
    CAS号 : 202407-38-3        Compound CID : 16213447
    分子式: 13CH313CH(15NH2)13CO2H        分子量: 93.06
    IUPAC Name: (2S)-2-(15N)azanyl(1,2,3-13C3)propanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-UVYXLFMMSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1,4+1
  4. L-苯基-d₅-丙氨酸-2,3,3-d₃
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 17942-32-4        Compound CID : 13000987
    分子式: C6D5CD2CD(NH2)CO2H        分子量: 173.24
    IUPAC Name: (2S)-2-amino-2,3,3-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
    SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
    InChIKey: COLNVLDHVKWLRT-WYMAAGAPSA-N
    InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D,6D2,8D
  5. L-酪氨酸-(苯基-3,5-d₂)
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 30811-19-9        Compound CID : 11819702
    分子式: 4-(HO)C6H2D2CH2CH(NH2)CO2H        分子量: 183.2
    IUPAC Name: (2S)-2-amino-3-(3,5-dideuterio-4-hydroxyphenyl)propanoic acid
    SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
    InChIKey: OUYCCCASQSFEME-ZQCIBQAJSA-N
    InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i3D,4D
  6. L-酪氨酸-(苯基-d₄)
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 62595-14-6        Compound CID : 10419891
    分子式: 4-(HO)C6D4CH2CH(NH2)CO2H        分子量: 185.21
    IUPAC Name: (2S)-2-amino-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propanoic acid
    SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
    InChIKey: OUYCCCASQSFEME-FCDGGRDXSA-N
    InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1D,2D,3D,4D
  7. 双酚 A-(二甲基-d₆)
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 86588-58-1        Compound CID : 16217404
    分子式: C15D6H10O2        分子量: 234.32
    IUPAC Name: 4-[1,1,1,3,3,3-hexadeuterio-2-(4-hydroxyphenyl)propan-2-yl]phenol
    SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: IISBACLAFKSPIT-WFGJKAKNSA-N
    InChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3
  8. 肉豆蔻-d₂₇酸
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 60658-41-5        Compound CID : 16212357
    分子式: C14D27HO2        分子量: 255.54
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoic acid
    SMILES: CCCCCCCCCCCCCC(=O)O
    InChIKey: TUNFSRHWOTWDNC-RZVOLPTOSA-N
    InChI: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2
  9. 辛酸-d₁₅酸
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号 : 69974-55-6        Compound CID : 13011402
    分子式: C8HD15O2        分子量: 159.3
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoic acid
    SMILES: CCCCCCCC(=O)O
    InChIKey: WWZKQHOCKIZLMA-PMELWRBQSA-N
    InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2
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