Cas no 2922-77-2 ()
structure
Product Name:
CAS No:2922-77-2
MF:C10H14N4O11P2
MW:428.185883998871
CID:6648446
PubChem ID:136081472
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H14N4O11P2/c15-6-7(25-27(20,21)22)4(1-23-26(17,18)19)24-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,11,12,16)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
- InChI Key： BUKYEGGZKNJUOP-KQYNXXCUSA-N
- SMILES： P(=O)(O)(O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1O)N1C=NC2C(NC=NC1=2)=O
Computed Properties
- Exact Mass: 428.01343127g/mol
- Monoisotopic Mass: 428.01343127g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 709
- 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: -4.9
- Topological Polar Surface Area: 222?2
Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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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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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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