Cas no 25853-45-6 (2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1))
25853-45-6 structure
Product Name:2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1)
CAS No:25853-45-6
MF:C19H27N7O14P2
MW:639.403705835342
CID:257053
PubChem ID:135618616
Update Time:2025-04-19
2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2&prime
- -DEOXY-5&prime
- -INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH -DEOXY-5&prime
- -CYTIDYLIC ACID HOMOPOLYMER (1:1)
- -INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2&prime
- 25853-45-6
- [(2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
- DTXSID70180505
- 2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1)
-
- Inchi: 1S/C10H13N4O7P.C9H14N3O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16;10-7-1-2-12(9(14)11-7)8-6(13)3-5(19-8)4-18-20(15,16)17/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19);1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,7+;5-,6+,8+/m00/s1
- InChI Key: BVDOFOVLSRVUDR-UJWAFZRWSA-N
- SMILES: P(=O)(O)(O)OC[C@@H]1[C@H](C[C@H](N2C=NC3C(NC=NC2=3)=O)O1)O.P(=O)(O)(O)OC[C@@H]1C[C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O
Computed Properties
- Exact Mass: 639.10931
- Monoisotopic Mass: 639.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 42
- Rotatable Bond Count: 8
- Complexity: 1030
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 310?2
Experimental Properties
- Boiling Point: 804.6°C at 760 mmHg
- Flash Point: 440.4°C
- PSA: 314.96
2′-DEOXY-5′-INOSINIC ACID, HOMOPOLYMER, COMPLEX WITH 2′-DEOXY-5′-CYTIDYLIC ACID HOMOPOLYMER (1:1) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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