小分子和化合物库

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显示第112个,产品总数64

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  1. 奈立膦酸盐
    CAS号 : 79778-41-9        Compound CID : 71237
    分子式: C6H17NO7P2        分子量: 277.15
    IUPAC Name: (6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid
    SMILES: C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
    InChIKey: PUUSSSIBPPTKTP-UHFFFAOYSA-N
    InChI: InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
  2. (1-Hydroxy-1-phosphonohexadecyl)phosphonic acid
    CAS号 : 2809-24-7        Compound CID : 406406
    分子式: C16H36O7P2        分子量: 402.4
    IUPAC Name: (1-hydroxy-1-phosphonohexadecyl)phosphonic acid
    SMILES: CCCCCCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: CRTLLTFVYOUDFN-UHFFFAOYSA-N
    InChI: InChI=1S/C16H36O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,24(18,19)20)25(21,22)23/h17H,2-15H2,1H3,(H2,18,19,20)(H2,21,22,23)
  3. [1-Hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
    CAS号 : 104261-69-0        Compound CID : 128523
    分子式: C8H13NO7P2        分子量: 297.14
    IUPAC Name: (1-hydroxy-1-phosphono-3-pyridin-3-ylpropyl)phosphonic acid
    SMILES: C1=CC(=CN=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: ILROXFQHACCDLA-UHFFFAOYSA-N
    InChI: InChI=1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-3-7-2-1-5-9-6-7/h1-2,5-6,10H,3-4H2,(H2,11,12,13)(H2,14,15,16)
  4. 焦磷酸
    CAS号 : 2466-09-3        Compound CID : 1023
    分子式: (HO)2P(O)OP(O)(OH)2        分子量: 177.98
    IUPAC Name: phosphono dihydrogen phosphate
    SMILES: OP(=O)(O)OP(=O)(O)O
    InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-N
    InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
  5. 焦磷酸
    CAS号 : 2466-09-3        Compound CID : 1023
    分子式: (HO)2P(O)OP(O)(OH)2        分子量: 177.98
    IUPAC Name: phosphono dihydrogen phosphate
    SMILES: OP(=O)(O)OP(=O)(O)O
    InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-N
    InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
  6. 前列腺素E1
    CAS号 : 745-65-3        Compound CID : 5280723
    分子式: C20H34O5        分子量: 354.48
    IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
    InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N
    InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
  7. 地诺前列素
    CAS号 : 551-11-1        Compound CID : 5280363
    分子式: C20H34O5        分子量: 354.49
    IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
    InChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-N
    InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
  8. 唑来膦酸
    CAS号 : 118072-93-8        Compound CID : 68740
    分子式: C5H10N2O7P2        分子量: 272.09
    IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
    SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
    InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
  9. 阿仑膦酸
    CAS号 : 66376-36-1        Compound CID : 2088
    分子式: C4H13NO7P2        分子量: 249.1
    IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
    SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
    InChIKey: OGSPWJRAVKPPFI-UHFFFAOYSA-N
    InChI: InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
  10. 地诺前列酮
    CAS号 : 363-24-6       
    分子式: C20H32O5        分子量: 352.47
    IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
    InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N
    InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
  11. 拉罗皮兰
    CAS号 : 571170-77-9        Compound CID : 9867642
    分子式: C21H19ClFNO4S        分子量: 435.9
    IUPAC Name: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
    SMILES: CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)F
    InChIKey: NXFFJDQHYLNEJK-CYBMUJFWSA-N
    InChI: InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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