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2',3'-cGAMP sodium salt

CAS: 2734858-36-5
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2734858-36-5

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1 2',3'-cGAMP sodium salt
2 2'-3'-cyclic GMP-AMP sodium
3 2',3'-cGAMP sodium
4 2'3'-cGAMP (sodium salt)
5 Sodium (5R,7R,8R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxyoctahydro-12H-5,8-methanofuro[3,2-l][1,3,6,9,11]pentaoxa[2,10]diphosphacyclotetradecine-2,10-bis(olate) 2,10-dioxide

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Molecular Formula C20H22N10Na2O13P2
Canonical SMILES
Isomeric SMILES
Molecular Weight 718.4000
InChIKey CNVCOPPPOWRJAV-DQNSRKNCSA-L
InChI InChI=1S/C20H24N10O13P2.2Na/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33;;/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33);;/q;2*+1/p-2/t6-,7-,10-,11-,12-,13-,18-,19-;;/m1../s1
XLogP 0.0000
ExactMass 718.0638
MonoisotopicMass 718.0638
TPSA 331.0000
Complexity 1290.0000
Charge 0.0000
HBondDonorCount 5
HBondAcceptorCount 19
RotatableBondCount 2
HeavyAtomCount 47
IsotopeAtomCount 0
AtomStereoCount 8
DefinedAtomStereoCount 8
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 3
PatentCount 9
PatentFamilyCount 5
LiteratureCount 1