Cas no 123970-01-4 (7-Undeculo-7,3-pyranoside-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy- (9CI))
123970-01-4 structure
Product Name:7-Undeculo-7,3-pyranoside-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy- (9CI)
CAS No:123970-01-4
MF:C16H19N5O9
MW:425.350163698196
CID:202234
PubChem ID:180212
Update Time:2025-04-19
7-Undeculo-7,3-pyranoside-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 7-Undeculo-7,3-pyranoside-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy- (9CI)
- Aureonuclemycin
- 7-Undeculo-7,3-pyranoside-1,4-furanuronic acid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-
- DTXSID40924650
- 123970-01-4
- 9-(6,10-Anhydro-5-deoxyundec-7-ulopyranosefuranuronosyl)-9H-purin-6-amine
-
- Inchi： 1S/C16H19N5O9/c17-12-6-13(19-2-18-12)21(3-20-6)14-8(23)9-4(28-14)1-5-16(27,30-9)11(24)7(22)10(29-5)15(25)26/h2-5,7-11,14,22-24,27H,1H2,(H,25,26)(H2,17,18,19)
- InChI Key： OJKCJHCMNLAGNV-UHFFFAOYSA-N
- SMILES： O1C2(C(C(C(C(=O)O)OC2CC2C1C(C(N1C=NC3C(N)=NC=NC1=3)O2)O)O)O)O
Computed Properties
- Exact Mass: 425.11837
- Monoisotopic Mass: 425.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 30
- Rotatable Bond Count: 2
- Complexity: 704
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 216A^2
- XLogP3: -3.2
Experimental Properties
- Density: 2.39
- Boiling Point: 910.7°Cat760mmHg
- Flash Point: 504.6°C
- Refractive Index: 1.992
- PSA: 215.53
7-Undeculo-7,3-pyranoside-1,4-furanuronicacid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy- (9CI) Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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