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(2'OMe-5'p-G) pG

CAT: 0013-GTR19279815-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279815-01Size:10 mg
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Description
(2'OMe-5'p-G) pG is a monomer raw material used in nucleic acid synthesis.
CAS Number
2638447-65-9
Smiles
O (C) [C@H]1[C@@H] (O[C@H] (COP (=O) (O) O) [C@H]1OP (OC[C@H]2O[C@H] ([C@H] (O) [C@@H]2O) N3C4=C (N=C3) C (=O) N=C (N) N4) (=O) O) N5C6=C (N=C5) C (=O) N=C (N) N6
Molecular Formula
C21H28N10O15P2
Molecular Weight
722.46
Notes
For research use only.

Chemical Information

P-Gua-Ribf2Me-P-rGuo
CAS Number2638447-65-9
PubChem CID168447850
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Molecular FormulaC21H28N10O15P2
Molecular Weight722.5
XLogP-7.2
Topological Polar Surface Area361
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1440
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O
InChI
InChI=1S/C21H28N10O15P2/c1-41-13-12(7(3-42-47(36,37)38)45-19(13)31-5-25-9-15(31)27-21(23)29-17(9)35)46-48(39,40)43-2-6-10(32)11(33)18(44-6)30-4-24-8-14(30)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,39,40)(H2,36,37,38)(H3,22,26,28,34)(H3,23,27,29,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKey
LSOCPKFDMCARKY-INFSMZHSSA-N
Chemical Structure
2D Structure
2D structure of P-Gua-Ribf2Me-P-rGuo
CAS: 2638447-65-9
CID: 168447850
Formula: C21H28N10O15P2
MW: 722.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.5
XLogP3-7.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Exact Mass722.12108422
Monoisotopic Mass722.12108422
Topological Polar Surface Area361 Ų
Heavy Atom Count48
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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