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102854-75-1 | Benzyl 2,3-O-Isopropylidene-α-D-mannopentenofuranoside-6-aldehyde
CAS No: 102854-75-1 Catalog No: AG00869U MDL No:
Product Description
Catalog Number:
AG00869U
Chemical Name:
Benzyl 2,3-O-Isopropylidene-α-D-mannopentenofuranoside-6-aldehyde
CAS Number:
102854-75-1
Molecular Formula:
C15H18O5
Molecular Weight:
278.3004
IUPAC Name:
(3aR,4S,6S)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
InChI:
InChI=1S/C15H18O5/c1-15(2)19-12-11(8-16)18-14(13(12)20-15)17-9-10-6-4-3-5-7-10/h3-8,11-14H,9H2,1-2H3/t11-,12?,13-,14+/m1/s1
InChI Key:
OGBMDKPBMYYRMN-RLAWYHOSSA-N
SMILES:
O=C[C@H]1O[C@@H]([C@H]2C1OC(O2)(C)C)OCc1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
278.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.304g/mol
Monoisotopic Mass:
278.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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