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36051-31-7 分子结构
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trisodium {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (phosphonatooxy)phosphonate

ChemBase编号:132652
分子式:C10H13N5Na3O14P3
平均质量:589.125913
单一同位素质量:588.93649285
SMILES和InChIs

SMILES:
c1nc2c(=O)[nH]c(nc2n1[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+]
Canonical SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O.[Na+].[Na+].[Na+]
InChI:
InChI=1S/C10H16N5O14P3.3Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1
InChIKey:
KZRMTEVIDYXWQW-CYCLDIHTSA-K

引用这个纪录

CBID:132652 http://www.chembase.cn/molecule-132652.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
trisodium {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (phosphonatooxy)phosphonate
IUPAC传统名
trisodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonatooxyphosphonate
别名
GTP
Guanosine 5′-triphosphate sodium salt solution
Guanosine 5′-triphosphate sodium salt hydrate
CAS号
36051-31-7
MDL号
MFCD00077781
Beilstein号
3585677
PubChem SID
162226929
24895354
24895138
PubChem CID
16219405

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 16219405 external link

理论计算性质

理论计算性质

JChem
Acid pKa 0.802243  质子受体 14 
质子供体 LogD (pH = 5.5) -10.325367 
LogD (pH = 7.4) -11.083946  Log P -3.633383 
摩尔折射率 93.8747 cm3 极化性 38.17548 Å3
极化表面积 303.3 Å2 可自由旋转的化学键
里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
H2O: soluble50 mg/mL expand 查看数据来源
H2O: soluble50 mg/mL, clear, colorless expand 查看数据来源
外观
white powder expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
-70°C expand 查看数据来源
相关基因信息
human ... HRAS(3265) expand 查看数据来源
纯度
≥95% (HPLC) expand 查看数据来源
≥95.0% (HPLC) expand 查看数据来源
浓度
100 mM in H2O (adjusted to pH 7) expand 查看数据来源
杂质
≤10% water expand 查看数据来源
≤4% Solvent expand 查看数据来源
Foreign Activity
DNase, RNase and Nickase, none detected expand 查看数据来源
运输包装
dry ice expand 查看数据来源
Empirical Formula (Hill Notation)
C10H16N5O14P3 · xNa+ expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  G3776 external link
Application
For use in DNA-dependent RNA polymerase transcription
Sigma Aldrich -  G8877 external link
Preparation Note
Prepared by enzymatic phosphorylation of 5′-GMP.
Biochem/physiol Actions
GTP functions as a carrier of phosphates and pyrophosphates involved in channeling chemical energy into specific biosynthetic pathways. GTP activates the signal transducing G proteins which are involved in various cellular processes including proliferation, differentiation, and activation of several intracellular kinase cascades. Proliferation and apoptosis are regulated in part by the hydrolysis of GTP by small GTPases Ras and Rho. Another type of small GTPase, Rab, plays a role in the docking and fusion of vesicles and may also be involved in vesicle formation. In addition to its role in signal transduction, GTP also serves as an energy-rich precursor of mononucleotide units in the enzymatic biosynthesis of DNA and RNA.
Sigma Aldrich -  51123 external link
Biochem/physiol Actions
GTP functions as a carrier of phosphates and pyrophosphates involved in channeling chemical energy into specific biosynthetic pathways. GTP activates the signal transducing G proteins which are involved in various cellular processes including proliferation, differentiation, and activation of several intracellular kinase cascades. Proliferation and apoptosis are regulated in part by the hydrolysis of GTP by small GTPases Ras and Rho. Another type of small GTPase, Rab, plays a role in the docking and fusion of vesicles and may also be involved in vesicle formation. In addition to its role in signal transduction, GTP also serves as an energy-rich precursor of mononucleotide units in the enzymatic biosynthesis of DNA and RNA.

参考文献

参考文献

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专利

专利

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互联网资源

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