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Sp-Cyclic AMPS (sodium salt)

CAT: 0013-GTR19201648-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Sp-Cyclic AMPS (sodium salt)
CAS Number
142439-95-0
Field of Research
Metabolism Research, Signal Transduction
Smiles
O[C@H]1[C@@H] (O[C@@]2 ([H]) [C@@]1 ([H]) OP ([S-]) (OC2) =O) N3C4=NC=NC (N) =C4N=C3.[Na+]
Molecular Formula
C10H12N5NaO5PS+
Molecular Weight
367.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sp-Cyclic AMPS (sodium salt)
CAS Number142439-95-0
PubChem CID23682235
IUPAC Namesodium (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular FormulaC10H11N5NaO5PS
Molecular Weight367.26
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity508
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=S)(O1)[O-].[Na+]
InChI
InChI=1S/C10H12N5O5PS.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7;/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-,21?;/m1./s1
InChIKey
YTUKZYORDGLGPR-NVGWRVNNSA-M
Chemical Structure
2D Structure
2D structure of Sp-Cyclic AMPS (sodium salt)
CAS: 142439-95-0
CID: 23682235
Formula: C10H11N5NaO5PS
MW: 367.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass367.01162092
Monoisotopic Mass367.01162092
Topological Polar Surface Area173 Ų
Heavy Atom Count23
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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