1-O-tert-butyl 2-O-methyl (1S,2S,4S,5R)-4-hydroxy-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxycyclohexane-1,2-dicarboxylate

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

	Common Name	1-O-tert-butyl 2-O-methyl (1S,2S,4S,5R)-4-hydroxy-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxycyclohexane-1,2-dicarboxylate	English Name	1-O-tert-butyl 2-O-methyl (1S,2S,4S,5R)-4-hydroxy-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxycyclohexane-1,2-dicarboxylate
	CAS NO.	N/A	Molecular Weight	436.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₃H₃₂O₈	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	1-O-tert-butyl 2-O-methyl (1S,2S,4S,5R)-4-hydroxy-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxycyclohexane-1,2-dicarboxylate

Molecular Formula	C23H32O8
Molecular Weight	436.5
Exact Mass	436.20971797
LogP	2.50
Standard SMILES	COC(=O)C1CC(O)C(OC(C)C(=O)OCc2ccccc2)CC1C(=O)OC(C)(C)C
Canonical SMILES	CC(C(=O)OCC1=CC=CC=C1)OC2CC(C(CC2O)C(=O)OC)C(=O)OC(C)(C)C
Isomeric SMILES	C[C@H](C(=O)OCC1=CC=CC=C1)O[C@@H]2C[C@@H]([C@H](C[C@@H]2O)C(=O)OC)C(=O)OC(C)(C)C
Standard InChI Identifier	InChI=1S/C23H32O8/c1-14(20(25)29-13-15-9-7-6-8-10-15)30-19-12-17(22(27)31-23(2,3)4)16(11-18(19)24)21(26)28-5/h6-10,14,16-19,24H,11-13H2,1-5H3/t14-,16+,17+,18+,19-/m1/s1
Standard InChI Key	ALCDKGULKOTGHQ-VINWQNLFSA-N
Compound Complexity	620.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：1 Rotatable Bond Count：11 Heavy Atom Count：31 Total Chiral Atom Count：5 Defined Chiral Atom Count：5 Undefined Chiral Atom Count：0 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：436.20971797