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71595-21-6 | (R)-4-(2-(DIMETHYLAMINO)-1-HYDROXYETHYL)CATECHOL PHOSPHONATE
CAS No: 71595-21-6 Catalog No: AG005GEC MDL No:
Product Description
Catalog Number:
AG005GEC
Chemical Name:
(R)-4-(2-(DIMETHYLAMINO)-1-HYDROXYETHYL)CATECHOL PHOSPHONATE
CAS Number:
71595-21-6
Molecular Formula:
C10H18NO6P
Molecular Weight:
279.2268
IUPAC Name:
4-[(1R)-2-(dimethylamino)-1-hydroxyethyl]benzene-1,2-diol;phosphoric acid
InChI:
InChI=1S/C10H15NO3.H3O4P/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7;1-5(2,3)4/h3-5,10,12-14H,6H2,1-2H3;(H3,1,2,3,4)/t10-;/m0./s1
InChI Key:
RQNJMSDUZOSRLM-PPHPATTJSA-N
SMILES:
CN(C[C@@H](c1ccc(c(c1)O)O)O)C.OP(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
295.228g/mol
Monoisotopic Mass:
295.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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