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Home > Encyclopedia > sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate

sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate

sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate structure

sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate 

structure
  • CAS No:

    634207-53-7

  • Formula:

    C17H18ClN5NaO7PS

  • Chemical Name:

    sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate

  • Synonyms:

    8-pCPT-2 inverted exclamation marka-O-Me-cAMP; 8-pCPT-2gamma-O-Me-cAMP; 8-pCPT-2'-O-Me-cAMP;

  • Categories:

    Biochemical Engineering  >  Saccharides

sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate Basic Attributes

525.83600

485.0325691

DTXSID40635552

Characteristics

191.01000

3.59640

235.5-237.5ºC

Safety Information

S22; S24/25

Drug Information

8-(4-chloro-phenylthio)-2'-O-methyladenosine-3'-5'-cyclic monophosphate

Computed Properties

Molecular Weight:485.8
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:485.0325691
Monoisotopic Mass:485.0325691
Topological Polar Surface Area:169
Heavy Atom Count:31
Complexity:708
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of sodium,9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine,hydrate

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