Cas no 7472-71-1 (Cytosine, 1-b-D-glucopyranosyl-,2',3',4',6'-tetraacetate, monohydrochloride (8CI))
7472-71-1 structure
Product Name:Cytosine, 1-b-D-glucopyranosyl-,2',3',4',6'-tetraacetate, monohydrochloride (8CI)
CAS No:7472-71-1
MF:C18H24ClN3O10
MW:477.850264549255
CID:576209
PubChem ID:54607965
Update Time:2025-04-19
Cytosine, 1-b-D-glucopyranosyl-,2',3',4',6'-tetraacetate, monohydrochloride (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Cytosine, 1-b-D-glucopyranosyl-,2',3',4',6'-tetraacetate, monohydrochloride (8CI)
- [3,4,5-triacetyloxy-6-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate,hydrochloride
- NSC402019
- 4-Amino-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)pyrimidin-2(1H)-one--hydrogen chloride (1/1)
- DTXSID60714631
- NSC-402019
- 7472-71-1
-
- Inchi： 1S/C18H23N3O10.ClH/c1-8(22)27-7-12-14(28-9(2)23)15(29-10(3)24)16(30-11(4)25)17(31-12)21-6-5-13(19)20-18(21)26;/h5-6,12,14-17H,7H2,1-4H3,(H2,19,20,26);1H
- InChI Key： AVJZUESEIVQPDZ-UHFFFAOYSA-N
- SMILES： Cl.O1C(C(C(C(C1COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)N1C(N=C(C=C1)N)=O
Computed Properties
- Exact Mass: 477.11500
- Monoisotopic Mass: 477.1150217g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 32
- Rotatable Bond Count: 10
- Complexity: 823
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 173?2
Experimental Properties
- Density: 1.5
- Boiling Point: 543.7°C at 760 mmHg
- Flash Point: 282.6°C
- Refractive Index: 1.597
- PSA: 175.34000
- LogP: 0.46430
Cytosine, 1-b-D-glucopyranosyl-,2',3',4',6'-tetraacetate, monohydrochloride (8CI) Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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