Cas no 50611-56-8 (2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol;hydrobromide)
50611-56-8 structure
Product Name:2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol;hydrobromide
CAS No:50611-56-8
MF:C17H20BrN5O5
MW:454.27520275116
CID:934007
PubChem ID:24191758
Update Time:2025-04-19
2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol;hydrobromide Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol,hydrobromide
- 1-Benzyloxyadenosin
- 2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol
- hydrobromide
- NSC109704
- NSC127064
- 1-(Benzyloxy)-9-pentofuranosyl-1,9-dihydro-6H-purin-6-imine--hydrogen bromide (1/1)
- NSC-127064
- 50611-56-8
- DTXSID90638053
- NSC-109704
- 2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol;hydrobromide
-
- Inchi： 1S/C17H19N5O5.BrH/c18-15-12-16(20-9-22(15)26-7-10-4-2-1-3-5-10)21(8-19-12)17-14(25)13(24)11(6-23)27-17;/h1-5,8-9,11,13-14,17-18,23-25H,6-7H2;1H
- InChI Key： KCCIRFUDFOLAMY-UHFFFAOYSA-N
- SMILES： Br.O1C(CO)C(C(C1N1C=NC2C(=N)N(C=NC1=2)OCC1C=CC=CC=1)O)O
Computed Properties
- Exact Mass: 453.06500
- Monoisotopic Mass: 453.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 572
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 136A^2
Experimental Properties
- Density: 1.66
- Boiling Point: 707.5°C at 760 mmHg
- Flash Point: 381.7°C
- Refractive Index: 1.754
- PSA: 138.64000
- LogP: 0.01040
2-(hydroxymethyl)-5-(6-imino-1-phenylmethoxypurin-9-yl)oxolane-3,4-diol;hydrobromide Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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