(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one sulfate hydrate (1:1:1)（CAS号：64058-48-6）

硫酸大观霉素(四水)

基本信息

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CAS号

64058-48-6

分子式

C14H28N2O12S

分子量

502.49 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酮类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

~185° (dec)

比旋光度

D25 +17.0° (c = 1 in water)

SMILES

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CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.OS(=O)(=O)O

InChI

InChI=1S/C14H24N2O7.H2O4S.H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1

InChIKey

XPEBEPHQVRGNCX-XYQGXRRISA-N

LogP

-6.8771999999999895

pKa

pKa1 7.00, pKa2 8.75(at 25℃)

拓扑极性表面积

330.11 Å²

氢键供体/受体

15 / 17

复杂度

559

同义词与引用数据

英文

Spectinomycin sulfate tetrahydrate
Adspec Sterile Solution
YS91P54918
(2R-(2alpha,4Abeta,5Abeta,6beta,7beta,8beta,9alpha,9Aalpha,10Abeta))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE TETRAHYDRATE
SPECTINOMYCIN SULPHATE TETRAHYDRATE
64058-48-6
U-18409E
Actinospectacin, tetrahydrate, sulfate
ESPECTINOMICINA SULFATE TETRAHYDRATE
Spectinomycin, tetrahydrate, sulfate
UNII-YS91P54918
Trobicin sulfate
DTXSID00982498
ACTINOSPECTACIN SULPHATE TETRAHYDRATE
Sulfuric acid--4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one--water (1/1/4)
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-, SULFATE, HYDRATE, (1:1:4)
(2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE TETRAHYDRATE
ACTINOSPECTACIN SULFATE TETRAHYDRATE
ESPECTINOMICINA SULPHATE TETRAHYDRATE
(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0,tetradecan-7-one sulfuric acid tetrahydrate
U 18409E
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one sulfate tetrahydrate
Spectinomycin, sulfate, tetrahydrate
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-, SULPHATE, HYDRATE, (1:1:4)
SPECTINOMYCIN SULFATE TETRAHYDRATE [MI]
Q27294692
(2R-(2alpha,4Abeta,5Abeta,6beta,7beta,8beta,9alpha,9Aalpha,10Abeta))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE TETRAHYDRATE
(2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE TETRAHYDRATE
SPECTINOMYCIN SULFATE TETRAHYDRATE [GREEN BOOK]
Actinospectacin,tetrahydrate,sulfate
FDA