Cas no 104783-29-1 (1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo- (9CI))
104783-29-1 structure
Product Name:1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo- (9CI)
CAS No:104783-29-1
MF:C13H19ClN5O5
MW:360.773461580276
CID:193717
PubChem ID:135625316
Update Time:2025-04-19
1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo- (9CI)
- 1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-di...
- CHPDG
- 7-(3-chloro-2-hydroxypropane)deoxyguanosine
- 7-(3-chloro-2-hydroxypropyl)-2'-deoxyguanosine
- DTXSID60909207
- 2-amino-7-(3-chloro-2-hydroxypropyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-9-ium-6-one
- 2-amino-7-(3-chloro-2-hydroxypropyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-9-ium-6-one
- 7-(3-Chloro-2-hydroxypropyl)-9-(2-deoxypentofuranosyl)-6-hydroxy-2-imino-3,9-dihydro-2H-purin-7-ium
- 104783-29-1
- CID 128673
-
- Inchi： 1S/C13H18ClN5O5/c14-2-6(21)3-18-5-19(9-1-7(22)8(4-20)24-9)11-10(18)12(23)17-13(15)16-11/h5-9,20-22H,1-4H2,(H2-,15,16,17,23)/p+1/t6?,7-,8+,9+/m0/s1
- InChI Key： ZZRJGNBCAVAWAM-GSLILNRNSA-O
- SMILES： ClCC(CN1C2C(NC(N)=NC=2[N+](=C1)[C@H]1C[C@@H]([C@@H](CO)O1)O)=O)O
Computed Properties
- Exact Mass: 360.10767
- Monoisotopic Mass: 360.107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 523
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.3
- Topological Polar Surface Area: 146?2
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 146.21
1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
104783-29-1 (1H-Purinium,2-amino-7-(3-chloro-2-hydroxypropyl)-9-(2-deoxy-b-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo- (9CI)) Related Products
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