benzyl (2S)-2-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

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

	Common Name	benzyl (2S)-2-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate	English Name	benzyl (2S)-2-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
	CAS NO.	N/A	Molecular Weight	438.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₃₀N₂O₈	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	benzyl (2S)-2-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Molecular Formula	C21H30N2O8
Molecular Weight	438.5
Exact Mass	438.20021592
LogP	2.00
Standard SMILES	CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)C1OC(C)(C)OC1COC(N)=O
Canonical SMILES	CC1(OC(C(O1)C(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COC(=O)N)C
Isomeric SMILES	CC1(O[C@H]([C@@H](O1)[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COC(=O)N)C
Standard InChI Identifier	InChI=1S/C21H30N2O8/c1-20(2,3)31-19(26)23-15(17(24)27-11-13-9-7-6-8-10-13)16-14(12-28-18(22)25)29-21(4,5)30-16/h6-10,14-16H,11-12H2,1-5H3,(H2,22,25)(H,23,26)/t14-,15-,16+/m0/s1
Standard InChI Key	NTEGVVOMWWTWCX-HRCADAONSA-N
Compound Complexity	640.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：2 Rotatable Bond Count：11 Heavy Atom Count：31 Total Chiral Atom Count：3 Defined Chiral Atom Count：3 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：438.20021592