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CAS 88110-89-8 manufacturers and suppliers on PharmaCompass

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CAS 88110-89-8
Also known as:
Molecular Formula
C11H15N5O5
Molecular Weight
297.27  g/mol
InChI Key
YKLKCCHLLFMWQE-UHFFFAOYSA-N

1 2D Structure

CAS 88110-89-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate
2.1.2 InChI
InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)
2.1.3 InChI Key
YKLKCCHLLFMWQE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N
2.1.5 Isomeric SMILES
CC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N
2.2 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 297.27 g/mol
Molecular Formula C11H15N5O5
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass297.10731860 g/mol
Monoisotopic Mass297.10731860 g/mol
Topological Polar Surface Area141 A^2
Heavy Atom Count21
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
1149-26-4
Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is liste...
Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is listed in the class of pvtltd company and classified as Non Govt Company. This company is registered at Registrar of Companies(ROC), Hyderabad with an Authorized Share Capital of Rs. 110 CR and its paid up capital is 110 CR.
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