Cas no 15830-60-1 (9H-Purine-8-thiol,6-amino-9-b-D-xylofuranosyl-,2',3',5'-triacetate (8CI))
15830-60-1 structure
Product Name:9H-Purine-8-thiol,6-amino-9-b-D-xylofuranosyl-,2',3',5'-triacetate (8CI)
CAS No:15830-60-1
MF:C16H19N5O7S
MW:425.416362047195
CID:232892
PubChem ID:3977402
Update Time:2025-04-19
9H-Purine-8-thiol,6-amino-9-b-D-xylofuranosyl-,2',3',5'-triacetate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-8-thiol,6-amino-9-b-D-xylofuranosyl-,2',3',5'-triacetate (8CI)
- [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl acetate
- 6-amino-1,7-dihydro-8H-purine-8-thione
- 6-amino-7,9-dihydro-purine-8-thione
- 6-amino-8-mercaptopurine
- 6-amino-8-purinethiol
- 6-Amino-9H-purine-8-thiol
- 6-Aminopurine-8(9H)-thione
- 6-aminopurine-8-thiol
- 8H-Purine-8-thione, 6-amino-1,7-dihydro-
- 8-mercaptoadenine
- 8-thioadenine
- AC1NS6KV
- adenine-8-thiol
- AE-848
- AG-G-92959
- Meradine
- NSC-107399
- 15830-54-3
- NSC107403
- DTXSID40935887
- 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol
- 15830-60-1
- NSC-107403
- NSC107399
-
- Inchi： 1S/C16H19N5O7S/c1-6(22)25-4-9-11(26-7(2)23)12(27-8(3)24)15(28-9)21-14-10(20-16(21)29)13(17)18-5-19-14/h5,9,11-12,15H,4H2,1-3H3,(H,20,29)(H2,17,18,19)
- InChI Key： CSRUORWUTFSQFB-UHFFFAOYSA-N
- SMILES： S=C1NC2C(N)=NC=NC=2N1C1C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 425.10067
- Monoisotopic Mass: 425.100519
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 695
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 187
Experimental Properties
- Density: 1.55
- Boiling Point: 587.9°Cat760mmHg
- Flash Point: 309.4°C
- PSA: 155.2
9H-Purine-8-thiol,6-amino-9-b-D-xylofuranosyl-,2',3',5'-triacetate (8CI) Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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