Home Other Building Blocks bis(3',5')-cyclic diguanylic acid

bis(3',5')-cyclic diguanylic acid

CAS No.:
61093-23-0
Catalog Number:
AG00EPOT
Molecular Formula:
C20H24N10O14P2
Molecular Weight:
690.4107
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$640
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Product Description
Catalog Number:
AG00EPOT
Chemical Name:
bis(3',5')-cyclic diguanylic acid
CAS Number:
61093-23-0
Molecular Formula:
C20H24N10O14P2
Molecular Weight:
690.4107
MDL Number:
MFCD31563661
IUPAC Name:
2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
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
InChI Key:
PKFDLKSEZWEFGL-MHARETSRSA-N
SMILES:
O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(=O)(OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O)O)O)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
690.095g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
690.416g/mol
Monoisotopic Mass:
690.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
341A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.8  
Literature
Title Journal
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