Cas no 101212-50-4 (Guanosine5'-(tetrahydrogen triphosphate), 8-amino- (9CI))
101212-50-4 structure
Product Name:Guanosine5'-(tetrahydrogen triphosphate), 8-amino- (9CI)
CAS No:101212-50-4
MF:C10H17N6O14P3
MW:538.195064306259
CID:173758
PubChem ID:135625304
Update Time:2025-04-19
Guanosine5'-(tetrahydrogen triphosphate), 8-amino- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanosine5'-(tetrahydrogen triphosphate), 8-amino- (9CI)
- 8-aminoguanosine triphosphate
- 8-aminoguanosine 5'-(tetrahydrogen triphosphate)
- Guanosine 5'-(tetrahydrogen triphosphate), 8-amino-
- 101212-50-4
- DTXSID90905994
- 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,8-diimino-3,7,8,9-tetrahydro-2H-purin-6-ol
- SCHEMBL17893049
-
- Inchi： 1S/C10H17N6O14P3/c11-9-14-6-3(7(19)15-9)13-10(12)16(6)8-5(18)4(17)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,17-18H,1H2,(H2,12,13)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,14,15,19)/t2-,4-,5-,8-/m1/s1
- InChI Key： IJSGACPSCFCCED-UMMCILCDSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(N)=NC3C(NC(N)=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 538.00171
- Monoisotopic Mass: 538.001559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 33
- Rotatable Bond Count: 8
- Complexity: 960
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 321
- XLogP3: -6.1
Experimental Properties
- Density: 2.88
- Boiling Point: 1052.4°Cat760mmHg
- Flash Point: 590.3°C
- Refractive Index: 1.99
- PSA: 320.83
Guanosine5'-(tetrahydrogen triphosphate), 8-amino- (9CI) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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