Cas no 150890-72-5 (9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba,4a,4aa,4ba)]- (9CI))
![9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba,4a,4aa,4ba)]- (9CI) structure](https://ossimg.kuujia.com/scimg/151000/150890-72-5x500.png)
150890-72-5 structure
Product Name:9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba,4a,4aa,4ba)]- (9CI)
CAS No:150890-72-5
MF:C12H13N5O3
MW:275.263321638107
CID:161564
PubChem ID:197613
Update Time:2025-04-19
9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba,4a,4aa,4ba)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba,4a,4aa,4ba)]- (9CI)
- 9-Hedake
- 9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba...
- 6-Amino-9-(1-methoxy-2,7-dioxatricyclo(3.3.0(4,6))octan-8-yl)purine
- 9-[(2R,2aS,4aS)-2a-methoxyhexahydro-1,3-dioxacyclopropa[cd]pentalen-2-yl]-9H-purin-6-amine
- 150890-72-5
- 9-(2a-Methoxyhexahydro-1,3-dioxacyclopropa[cd]pentalen-2-yl)-9H-purin-6-amine
- 9-[(5S,7R,8S)-8-methoxy-3,6-dioxatricyclo[3.3.0.02,8]octan-7-yl]purin-6-amine
- DTXSID60934115
-
- Inchi： 1S/C12H13N5O3/c1-18-12-6-5(2-19-8(6)12)20-11(12)17-4-16-7-9(13)14-3-15-10(7)17/h3-6,8,11H,2H2,1H3,(H2,13,14,15)/t5-,6?,8?,11-,12+/m1/s1
- InChI Key： LDVMREARNDQIMN-QKGJZQGISA-N
- SMILES： O1C[C@@H]2C3C1[C@@]3([C@H](N1C=NC3C(N)=NC=NC1=3)O2)OC
Computed Properties
- Exact Mass: 275.102
- Monoisotopic Mass: 275.102
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 439
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 97.3?2
Experimental Properties
- Density: 2.13
- Boiling Point: 544.3°Cat760mmHg
- Flash Point: 283°C
- Refractive Index: 2.004
9H-Purin-6-amine,9-(hexahydro-4a-methoxy-1,3-dioxacyclopropa[cd]pentalen-4-yl)-, [2aS-(2aa,2ba,4a,4aa,4ba)]- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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