1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-[(2R,3R,4S,5S)-5-fluoro-3,4-bis(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl pyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C28H34FN3O11/c1-15(2)23(34)39-13-28(29)21(42-25(36)17(5)6)20(41-24(35)16(3)4)22(43-28)31-11-9-19(33)32(27(31)38)14-40-26(37)18-8-7-10-30-12-18/h7-12,15-17,20-22H,13-14H2,1-6H3/t20-,21+,22-,28-/m1/s1

2.1.3 InChI Key

NQRKQWPVFDFSBT-BUUPBASBSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Vv261

2. Ex-a12727

3. 3003864-86-3

2.3 Create Date

2025-06-23

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₄FN₃O₁₁
Molecular Weight	607.6 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	15
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	168
Heavy Atom Count	43
Formal Charge	0
Complexity	1130
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

VV261

VV261

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