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(2R,3S,4S)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran

(2R,3S,4S)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran

CAS: 55628-54-1

Formula: C27H28O4

SMILES: C(OCC1=CC=CC=C1)[C@H]1OC=C[C@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1

IUPAC: (2R,3S,4S)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran

InChI: InChI=1S/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26+,27+/m0/s1

Composition: C (77.86%), H (6.78%), O (15.36%)

Molar Mass: 416.517

Atom Count: 59

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 416.198759382
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MXYLLYBWXIUMIT-VJGNERBWSA-N
Lipinski's Rule of Five
Molar Refractivity 121.87
Topological Polar Surface Area 36.92
Polarizability 47.9
Ring Count 4
Rotatable Bond Count 10

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