1-[3-[4-[[3-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]phenyl]propyl]-3-propylurea

Update Time: 2025-04-25 16:33:36

	Common Name	1-[3-[4-[[3-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]phenyl]propyl]-3-propylurea	English Name	1-[3-[4-[[3-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]phenyl]propyl]-3-propylurea
	CAS NO.	N/A	Molecular Weight	522.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₉FN₄O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	1-[3-[4-[[3-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]phenyl]propyl]-3-propylurea

Molecular Formula	C26H39FN4O6
Molecular Weight	522.6
Exact Mass	522.28536314
LogP	2.60
Standard SMILES	CCCNC(=O)NCCCc1ccc(Cc2c(OC3OC(CO)C(F)C(O)C3O)n[nH]c2C(C)C)cc1
Canonical SMILES	CCCNC(=O)NCCCC1=CC=C(C=C1)CC2=C(NN=C2OC3C(C(C(C(O3)CO)F)O)O)C(C)C
Isomeric SMILES	CCCNC(=O)NCCCC1=CC=C(C=C1)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)C(C)C
Standard InChI Identifier	InChI=1S/C26H39FN4O6/c1-4-11-28-26(35)29-12-5-6-16-7-9-17(10-8-16)13-18-21(15(2)3)30-31-24(18)37-25-23(34)22(33)20(27)19(14-32)36-25/h7-10,15,19-20,22-23,25,32-34H,4-6,11-14H2,1-3H3,(H,30,31)(H2,28,29,35)/t19-,20-,22+,23-,25+/m1/s1
Standard InChI Key	CVSXZLWEHBBCMO-WHULDATMSA-N
Compound Complexity	684.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：6 Rotatable Bond Count：12 Heavy Atom Count：37 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：522.28536314