Cas no 157825-89-3 ()
structure
Product Name:
CAS No:157825-89-3
MF:C22H37N8O18P3
MW:794.493267774582
CID:6647750
PubChem ID:5289039
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C22H37N8O18P3/c1-22(2,17(33)20(34)25-6-4-13(31)24-5-3-7-30(35)36)9-45-51(42,43)48-50(40,41)44-8-12-16(47-49(37,38)39)15(32)21(46-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,32-33H,3-9H2,1-2H3,(H,24,31)(H,25,34)(H,40,41)(H,42,43)(H2,23,26,27)(H2,37,38,39)/t12-,15-,16-,17+,21-/m1/s1
- InChI Key： PUGKTLRHGHIDCJ-GORZOVPNSA-N
- SMILES： P(=O)(O)(O)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCC(C)(C)[C@H](C(NCCC(NCCC[N+](=O)[O-])=O)=O)O)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2
Computed Properties
- Exact Mass: 794.14386735g/mol
- Monoisotopic Mass: 794.14386735g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 51
- Rotatable Bond Count: 19
- Complexity: 1370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.9
- Topological Polar Surface Area: 392?2
Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside diphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside diphosphates
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