Cas no 56079-20-0 ()
structure
Product Name:
CAS No:56079-20-0
MF:C10H16N5O14P3
MW:523.180424690247
CID:6686026
PubChem ID:135867730
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(3(27-9)1-26-30(18,19)20)28-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
- InChI Key： NLQLQMLFCFBXQO-UUOKFMHZSA-N
- SMILES： P(=O)(O)(OP(=O)(O)O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1O)N1C=NC2C(NC(N)=NC1=2)=O
Computed Properties
- Exact Mass: 522.99066119g/mol
- Monoisotopic Mass: 522.99066119g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 32
- Rotatable Bond Count: 8
- Complexity: 921
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.7
- Topological Polar Surface Area: 295?2
Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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