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Home> Encyclopedia > Hot Product Listed L   > L-Guanosine
1217630-52-8 structure

L-Guanosine

Iupac Name:2,2,2-trideuterio-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CAS No.:1217630-52-8
Molecular Weight:388.434
Molecular Formula:C11H9NO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1/i1D3
InChkey
DPOVAJCRYIUTBD-VSLDJYOXSA-N
Canonical Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
Properties
Density
1.141
Melting Point
190-198°C
Boiling Point
527.786 °C at 760 mmHg
Flash Point
159.4°C
Safety and Handling
Specification

The L-Guanosine, with the CAS registry number 26578-09-6, is also known as 2-Amino-1,9-dihydro-9-b-D-ribofuranosyl-6H-purin-6-one and 2-Amino-inosine. This chemical's molecular formula is C10H13N5O5 and molecular weight is 283.24. What's more, its systematic name is called Guanosine.

Physical properties about L-Guanosine are:(1) # of Rule of 5 Violations: 2; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1.284; (5) ACD/KOC (pH 7.4): 1.278; (6) #H bond acceptors: 10; (7) #H bond donors: 6; (8) #Freely Rotating Bonds: 5; (9) Polar Surface Area: 155.22 Å2; (10) Index of Refraction: 1.955; (11) Molar Refractivity: 60.811 cm3; (12) Molar Volume: 125.448 cm3; (13) Surface Tension: 123.824 dyne/cm; (14) Density: 2.258 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
(2) InChI: InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: NYHBQMYGNKIUIF-UUOKFMHZBU

Computational chemical data
  • Molecular Weight:388.434g/mol
  • Molecular Formula:C11H9NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.5
  • Exact Mass:388.171
  • Monoisotopic Mass:388.171
  • Complexity:724
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:94.1A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:3
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAABggAAAABAAAAHgAQCAAADCzBmAYyBoLABgCI AqFSEAKCCAAgIAAAiIBOiMgNJyKGsR6EcCMl1hWLuYeQ8P8OoAABCAAYQABAAAIQADCAAAAAAAAA AA==
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