Cas no 153265-57-7 (Ncdac)
Ncdac structure
Product Name:Ncdac
CAS No:153265-57-7
MF:C10H12N4O4
MW:252.22668170929
CID:165983
Update Time:2023-08-02
Ncdac Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinone,4-amino-1-(2-deoxy-2-isocyano-b-D-arabinofuranosyl)-
- 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-isocyano-beta-D-arabinofuranosyl)-
- 2'-Deoxy-2'-isocyano-1-arabinofuranosylcytosine
- 4-Amino-1-(2-deoxy-2-isocyano-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
- 4-amino-1-(2-deoxy-2-isocyano-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
- NCDAC
- 1-(2-Isocyano-2-deoxy-beta-D-arabinofuranosyl)cytosine
- 1-(2-Deoxy-2-isocyanopentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol
- Ncdac
-
- Inchi： 1S/C10H12N4O4/c1-12-7-8(16)5(4-15)18-9(7)14-3-2-6(11)13-10(14)17/h2-3,5,7-9,15-16H,4H2,(H2,11,13,17)/t5-,7+,8-,9-/m1/s1
- InChI Key： SSDLPLWBMNUNRB-VCGXYPBASA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@@H]1N1C(N=C(C=C1)N)=O)[N+]#[C-])O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 466
- XLogP3: -2.4
- Topological Polar Surface Area: 113
Ncdac Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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