Analyte Name

Cyclic-di-GMP-13C2,15N4

Molecular Formula

13C2 C18 H24 15N4 N6 O14 P2

Molecular Weight

696.37

Accurate Mass

696.09

SMILES

[15NH2][13C]1=NC(=O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]5[C@@H](COP(=O)(O)O[C@H]4[C@H]3O)O[C@H]([C@@H]5O)n6cnc7C(=O)N=[13C]([15NH2])[15NH]c67)c2[15NH]1

InChI

InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1/i19+1,20+1,21+1,22+1,25+1,26+1

IUPAC

2-(15N)azanyl-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-(15N)azanyl-6-oxo-3H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3?5,12?5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-3H-purin-6-one

Unlabelled CAS Number

61093-23-0

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat