Cas no 7687-50-5 (Adenine,9-(3,5-O-isopropylidene-a-D-xylofuranosyl)- (7CI,8CI))
7687-50-5 structure
Product Name:Adenine,9-(3,5-O-isopropylidene-a-D-xylofuranosyl)- (7CI,8CI)
CAS No:7687-50-5
MF:C13H17N5O4
MW:307.305182218552
CID:581266
PubChem ID:254844
Update Time:2025-04-19
Adenine,9-(3,5-O-isopropylidene-a-D-xylofuranosyl)- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenine,9-(3,5-O-isopropylidene-a-D-xylofuranosyl)- (7CI,8CI)
- [4-(propanoylamino)phenyl] N,N-dimethylsulfamate
- AC1L5JW4
- AC1Q5OHX
- AR-1K5731
- n-acetyl-6-chloro-9-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)pentofuranosyl]-9h-purin-2-amine
- NSC100043
- NSC71852
- NSC-79495
- NSC-79494
- 7687-50-5
- 9-[3,5-o-(1-methylethylidene)pentofuranosyl]-9h-purin-6-amine
- 7687-49-2
- Adenine, 9-(3,5-o-isopropylidene-beta-d-xylofuranosyl)-
- NSC79495
- NSC79494
- NCIOpen2_008716
- DTXSID60291992
-
- Inchi： 1S/C13H17N5O4/c1-13(2)20-3-6-9(22-13)8(19)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)
- InChI Key： XHZOUHXBGRSPRW-UHFFFAOYSA-N
- SMILES： O1C(C(C2C1COC(C)(C)O2)O)N1C=NC2C(N)=NC=NC1=2
Computed Properties
- Exact Mass: 307.128
- Monoisotopic Mass: 307.128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 439
- 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: -0.9
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.8
- Boiling Point: 588.3°Cat760mmHg
- Flash Point: 309.6°C
- Refractive Index: 1.797
- PSA: 117.54000
- LogP: 0.39950
Adenine,9-(3,5-O-isopropylidene-a-D-xylofuranosyl)- (7CI,8CI) Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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