S-(N-Dansylaminoethyl)-6-mercaptoguanosine

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Basic information

CAS: 75501-09-6
Standard SMILES: CN(C)c1cccc2c(S(=O)(=O)NCCSc3nc(N)nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc12
InChIKey: MPXSKCLUZXLSQT-UGTJMOTHSA-N
Molecular formula: C24H29N7O6S2
Average molar mass: 575.7 g/mol
Monoisotopic mass: 575.16207402

Overview

fluorescent probe for uridine transport system

Names & identifiers

Preferred name: S-(N-Dansylaminoethyl)-6-mercaptoguanosine
IUPAC: N-[2-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide

Names & synonyms

75501-09-6S-(N-Dansylaminoethyl)-6-mercaptoguanosine1-Naphthalenesulfonamide, N-(2-((2-amino-9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)ethyl)-5-(dimethylamino)-RefChem:180581N-(2-((2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)thio)ethyl)-5-(dimethylamino)naphthalene-1-sulfonamideDTXSID20996971N-[2-({2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}sulfanyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide6-({2-[5-(Dimethylamino)naphthalene-1-sulfonamido]ethyl}sulfanyl)-9-beta-D-ribofuranosyl-3,9-dihydro-2H-purin-2-imine6-[(2-{[5-(Dimethylamino)naphthalene-1-sulfonyl]amino}ethyl)sulfanyl]-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine

Database identifiers

CAS: 75501-09-6
PubChem CID: 192042
DTXSID: DTXSID20996971

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 223 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 13
Rotatable bonds: 9
Heavy atoms: 39
Formal charge: 0
Complexity: 929

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Compound notes

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