S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate

S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate 基本信息
CAS号 101980-75-0 分子式 C31H35NO11S
分子量 629.67500 精确质量  629.19300
PSA  228.21000 LogP  2.76920

基本信息 展开↓

CAS号:
101980-75-0
3D弹球模型:
立即前往扯扯看
分子式:
C31H35NO11S
分子量:
629.67500
英文名称:
S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate
英文别名:
S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate;
adriamycin 14-thiobutyrate;
Adriamycin 14-thiovalerate
精确分子量/精确质量:
629.19300
极性分子表面积/PSA:
228.21000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: ZAJMGFPSIIBVJA-YAILUBCASA-N

物化性质展开↓

密度:
1.52g/cm3
沸点:
827.3ºC at 760 mmHg
闪点:
454.1ºC
折射率:
1.68
蒸汽压:
5.42E-29mmHg at 25°C

合成路线查看所有的合成路线

  • 3931-64-4

    thiolobutyric acid

  • +

  • 65026-79-1

    (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

  • 101980-75-0

    S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate

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  • 3931-64-4

    Butanethioic acid

  • 65026-79-1

    (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

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