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1-[(3'aR,4'R,6'R,6'aR)-6'-(hydroxymethyl)-tetrahydrospiro[cyclopentane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl]-3H-pyrimidine-2,4-dione

1-[(3'aR,4'R,6'R,6'aR)-6'-(hydroxymethyl)-tetrahydrospiro[cyclopentane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl]-3H-pyrimidine-2,4-dione

CAS: 5297-71-2

Formula: C14H18N2O6

SMILES: OC[C@H]1O[C@H]([C@@H]2OC3(CCCC3)O[C@H]12)N1C=CC(=O)NC1=O

IUPAC: 1-[(3'aR,4'R,6'R,6'aR)-6'-(hydroxymethyl)-tetrahydrospiro[cyclopentane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

InChI: InChI=1S/C14H18N2O6/c17-7-8-10-11(22-14(21-10)4-1-2-5-14)12(20-8)16-6-3-9(18)15-13(16)19/h3,6,8,10-12,17H,1-2,4-5,7H2,(H,15,18,19)/t8-,10-,11-,12-/m1/s1

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 310.306

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 310.116486308
Formal Charge 0
FSP3 0.71
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey IYECRWNHISPZRG-HJQYOEGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.91
Topological Polar Surface Area 97.33
Polarizability 28.69
Ring Count 4
Rotatable Bond Count 2

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95% 1 Day 5297-71-2 $442.26-$1,564.92$442.26$782.46$1,564.92
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