Cas no 16870-91-0 (6H-Purin-6-one,2-amino-1,7-dihydro-7-hydroxy-)
16870-91-0 structure
Product Name:6H-Purin-6-one,2-amino-1,7-dihydro-7-hydroxy-
CAS No:16870-91-0
MF:C5H5N5O2
MW:167.125499486923
CID:189493
PubChem ID:135448994
Update Time:2025-04-19
6H-Purin-6-one,2-amino-1,7-dihydro-7-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-1,7-dihydro-7-hydroxy-
- 2-amino-7-hydroxy-3H-purin-6-one
- 7-hydroxyguanine
- 2-amino-7-hydroxy-3,7-dihydro-6H-purin-6-one
- 6H-Purin-6-one, 2-amino-1,7-dihydro-7-hydroxy-
- Antibiotic 3780
- CHEBI:222610
- 2-Amino-1,9-dihydro-6H-purin-6-one-7-oxide
- 2-amino-7-oxido-1,9-dihydropurin-7-ium-6-one
- Antibiotic PD 113876
- 6H-Purin-6-one, 2-amino-1,9-dihydro-, 7-oxide
- DTXSID70168601
- Guanine 7-oxide
- PD-113876
- Guanine, N-7-oxide
- Guanine N7-oxide
- VV6PV58VBZ
- NSC353056
- Guanine, 7-oxide
- 5227-68-9
- 16870-91-0
- VWMKKTYDXHGESB-UHFFFAOYSA-N
- SCHEMBL10964765
- 2-amino-6-oxo-6,9-dihydro-1H-purine 7-oxide
- 2-Amino-6-oxo-6,9-dihydro-1H-purin-7-ium-7-olate
- SCHEMBL9818039
- NSC-353056
- 2-amino-7-hydroxy-1H-purin-6-one
- SCHEMBL7705403
-
- Inchi： 1S/C5H5N5O2/c6-5-8-3-2(4(11)9-5)10(12)1-7-3/h1,12H,(H3,6,8,9,11)
- InChI Key： PIIRLHSJVLBMJN-UHFFFAOYSA-N
- SMILES： ON1C=NC2=C1C(NC(N)=N2)=O
Computed Properties
- Exact Mass: 167.04445
- Monoisotopic Mass: 167.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 106A^2
- XLogP3: -0.5
Experimental Properties
- Density: 2.31
- Boiling Point: 603.8°Cat760mmHg
- Flash Point: 319°C
- Refractive Index: 2.046
- PSA: 105.53
6H-Purin-6-one,2-amino-1,7-dihydro-7-hydroxy- Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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