阿洛酮糖腺苷

阿洛酮糖腺苷 基本信息
CAS号 1874-54-0 分子式 C11H15N5O5
分子量 297.26700 精确质量  297.10700
PSA  159.77000 LogP  -2.25230

基本信息 展开↓

CAS号:
1874-54-0
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分子式:
C11H15N5O5
分子量:
297.26700
中文名称:
阿洛酮糖腺苷
英文名称:
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
中文别名:
阿洛酮糖腺苷
英文别名:
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2,5-bis(hydroxymethyl)oxolane-3,4-diol;
Adenine,9beta-D-psicofuranosyl;
6-Amino-9-D-psicofuranosylpurine;
Psicofuranosyladenine;
Angustmycin C;
psicofuranine;
angustmicine C
精确分子量/精确质量:
297.10700
极性分子表面积/PSA:
159.77000
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: BNZYRKVSCLSXSJ-IOSLPCCCSA-N

物化性质展开↓

密度:
2.02g/cm3
熔点:
212-214℃ (decomposition)
沸点:
720.1ºC at 760 mmHg
闪点:
389.3ºC
折射率:
1.855
蒸汽压:
9.24E-22mmHg at 25°C

合成路线查看所有的合成路线

  • 138348-93-3

    138348-93-3

  • ~90%

  • 1874-54-0

    阿洛酮糖腺苷

  • 138348-91-1

    138348-91-1

  • ~74%

  • 1874-54-0

    阿洛酮糖腺苷

  • 93417-25-5

    93417-25-5

  • ~50%

  • 1874-54-0

    阿洛酮糖腺苷

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU7100000
CHEMICAL NAME :
Adenine, 9-beta-D-psicofuranosyl-
CAS REGISTRY NUMBER :
1874-54-0
BEILSTEIN REFERENCE NO. :
0095142
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C11-H15-N5-O5
MOLECULAR WEIGHT :
297.31
WISWESSER LINE NOTATION :
T56 BN DN FN HNJ IZ D- BT5OTJ B1Q CQ DQ E1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,675,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
13 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85ERAY "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978 Volume(issue)/page/year: 1,842,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1695 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UPJOH* "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." (Kalamazoo, MI 49001) Volume(issue)/page/year: 2(6),-,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85ERAY "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978 Volume(issue)/page/year: 1,842,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UPJOH* "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." (Kalamazoo, MI 49001) Volume(issue)/page/year: 2(6),-,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
9800 mg/kg/28D-I
TOXIC EFFECTS :
Liver - other changes Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 9,675,1959 *** REVIEWS *** TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,159,1973

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