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结构：Nc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12
HCID447199

Formycin

(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H13N5O4267.24 g/molCAS 6742-12-7
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IDENTITY

结构与身份

标准 SMILES
Nc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12
InChIKey
KBHMEHLJSZMEMI-KSYZLYKTSA-N
分子式
C10H13N5O4
平均分子量
267.24 g/mol
单同位素质量
267.09675391

COMPUTED

结构计算性质

已同步
XLogP
-2.2
极性表面积
150 Ų
氢键供体
5
氢键受体
8
可旋转键
2
重原子
19
形式电荷
0
复杂度
335

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%)

PHARMACOLOGY

药理信息

来源：PubChem
MeSH Pharmacological Classification

Substances that inhibit or prevent the proliferation of NEOPLASMS.

ALIASES

名称与别名

共 39 条
formycin AFormycin6742-12-7(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitolDTXSID20863937(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolCHEBI:42452(1S)-1-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo(4,3-d)pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolRefChem:141297CHEBI:24088DTXCID0015111377-AMINO-3-beta-D-RIBOFURANOSYL-1H-PYRAZOLO[4,3-D]PYRIMIDINE MONOHYDRATEFMCNSC 1028112qtt1nc38-Aza-9-deazaadenosineSCHEMBL980049CHEMBL471524

REACTIONS

参与反应

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂