3-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5-[(4-methoxyphenyl)methyl]-4,5-dihydroisoxazole

Update Time: 2025-04-25 16:31:57

	Common Name	3-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5-[(4-methoxyphenyl)methyl]-4,5-dihydroisoxazole	English Name	3-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5-[(4-methoxyphenyl)methyl]-4,5-dihydroisoxazole
	CAS NO.	N/A	Molecular Weight	439.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₉NO₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	3-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5-[(4-methoxyphenyl)methyl]-4,5-dihydroisoxazole

Molecular Formula	C25H29NO6
Molecular Weight	439.5
Exact Mass	439.19948764
LogP	3.60
Standard SMILES	COc1ccc(CC2CC(C3OC4OC(C)(C)OC4C3OCc3ccccc3)=NO2)cc1
Canonical SMILES	CC1(OC2C(C(OC2O1)C3=NOC(C3)CC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)C
Isomeric SMILES	CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C3=NOC(C3)CC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)C
Standard InChI Identifier	InChI=1S/C25H29NO6/c1-25(2)30-23-22(28-15-17-7-5-4-6-8-17)21(29-24(23)31-25)20-14-19(32-26-20)13-16-9-11-18(27-3)12-10-16/h4-12,19,21-24H,13-15H2,1-3H3/t19?,21-,22+,23-,24-/m1/s1
Standard InChI Key	PULGGUMDQPGYRI-WZNAITLGSA-N
Compound Complexity	655.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：0 Rotatable Bond Count：7 Heavy Atom Count：32 Total Chiral Atom Count：5 Defined Chiral Atom Count：4 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：439.19948764