Cas no 35959-64-9 (Butanamide,N-[1-[3,5-bis-O-(1-oxobutyl)-b-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-)
![Butanamide,N-[1-[3,5-bis-O-(1-oxobutyl)-b-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- structure](https://ossimg.kuujia.com/scimg/36000/35959-64-9x500.png)
35959-64-9 structure
Product Name:Butanamide,N-[1-[3,5-bis-O-(1-oxobutyl)-b-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
CAS No:35959-64-9
MF:C21H31N3O8
MW:453.486146211624
CID:321909
PubChem ID:286095
Update Time:2025-04-19
Butanamide,N-[1-[3,5-bis-O-(1-oxobutyl)-b-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide,N-[1-[3,5-bis-O-(1-oxobutyl)-b-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
- 35959-64-9
- NSC-143910
- NSC143910
- DTXSID40957367
- 4-(Butanoylimino)-1-(3,5-di-O-butanoylpentofuranosyl)-1,4-dihydropyrimidin-2-ol
-
- Inchi： 1S/C21H31N3O8/c1-4-7-15(25)22-14-10-11-24(21(29)23-14)20-18(28)19(32-17(27)9-6-3)13(31-20)12-30-16(26)8-5-2/h10-11,13,18-20,28H,4-9,12H2,1-3H3,(H,22,23,25,29)
- InChI Key： YAHKYOMXQGNYOS-UHFFFAOYSA-N
- SMILES： O1C(C(C(C1COC(CCC)=O)OC(CCC)=O)O)N1C(N=C(C=C1)NC(CCC)=O)=O
Computed Properties
- Exact Mass: 453.211
- Monoisotopic Mass: 453.211
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 32
- Rotatable Bond Count: 13
- Complexity: 766
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 144?2
- XLogP3: 1.3
Experimental Properties
- Density: 1.34
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.58
- PSA: 146.05000
- LogP: 1.36840
Butanamide,N-[1-[3,5-bis-O-(1-oxobutyl)-b-D-arabinofuranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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