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1215268-15-7 | Ethanol, 2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethanedioate (1:?)
CAS No: 1215268-15-7 Catalog No: AG001581 MDL No:MFCD22573302
Product Description
Catalog Number:
AG001581
Chemical Name:
Ethanol, 2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethanedioate (1:?)
CAS Number:
1215268-15-7
Molecular Formula:
C12H21NO8
Molecular Weight:
307.2970
MDL Number:
MFCD22573302
IUPAC Name:
2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;oxalic acid
InChI:
InChI=1S/C10H19NO4.C2H2O4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12;3-1(4)2(5)6/h6-9,12H,3-5,11H2,1-2H3;(H,3,4)(H,5,6)/t6-,7+,8+,9-;/m1./s1
InChI Key:
HIQMXNAXTWONJI-WZSOELRKSA-N
SMILES:
OC(=O)C(=O)O.OCCO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
307.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
307.299g/mol
Monoisotopic Mass:
307.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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