1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C74H100N10O30 — CID 158313391

About 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 158313391) has the molecular formula C74H100N10O30 and a molecular weight of 1609.65 g/mol. Its IUPAC name is 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 158313391
• Molecular Formula: C74H100N10O30
• Molecular Weight: 1609.65 g/mol
• Exact Mass: 1608.66
• IUPAC Name: 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]2(C)OC3(CCCC3)O[C@H]12.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.C[C@@]12OC3(CCCC3)O[C@@H]1C(CO)(CO)O[C@H]2n1ccc(=O)[nH]c1=O.C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](C=O)O[C@H]2n1ccc(=O)[nH]c1=O.C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CO)O[C@H]2n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C18H26N2O5.C16H22N2O7.C15H20N2O6.C15H18N2O6.C10H14N2O6/c1-4-17(5-2)13-16(3,25-18(23-13)9-6-7-10-18)14(24-17)20-11-8-12(21)19-15(20)22;1-14-11(23-16(25-14)5-2-3-6-16)15(8-19,9-20)24-12(14)18-7-4-10(21)17-13(18)22;2*1-14-11(22-15(23-14)5-2-3-6-15)9(8-18)21-12(14)17-7-4-10(19)16-13(17)20;1-10(17)7(15)5(4-13)18-8(10)12-3-2-6(14)11-9(12)16/h8,11,13-14H,4-7,9-10H2,1-3H3,(H,19,21,22);4,7,11-12,19-20H,2-3,5-6,8-9H2,1H3,(H,17,21,22);4,7,9,11-12,18H,2-3,5-6,8H2,1H3,(H,16,19,20);4,7-9,11-12H,2-3,5-6H2,1H3,(H,16,19,20);2-3,5,7-8,13,15,17H,4H2,1H3,(H,11,14,16)/t13-,14+,16+;11-,12+,14+;2*9-,11-,12-,14-;5-,7-,8-,10-/m00111/s1
• InChIKey: GNYMDRJIKCVLRD-MWYMGADYSA-N
• XLogP: -1.21
• TPSA: 532.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.65
LogP ≤ 5	-1.21
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 158313391) is 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]2(C)OC3(CCCC3)O[C@H]12.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.C[C@@]12OC3(CCCC3)O[C@@H]1C(CO)(CO)O[C@H]2n1ccc(=O)[nH]c1=O.C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](C=O)O[C@H]2n1ccc(=O)[nH]c1=O.C[C@@]12OC3(CCCC3)O[C@@H]1[C@@H](CO)O[C@H]2n1ccc(=O)[nH]c1=O.

What is the InChIKey of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is GNYMDRJIKCVLRD-MWYMGADYSA-N. The full InChI is InChI=1S/C18H26N2O5.C16H22N2O7.C15H20N2O6.C15H18N2O6.C10H14N2O6/c1-4-17(5-2)13-16(3,25-18(23-13)9-6-7-10-18)14(24-17)20-11-8-12(21)19-15(20)22;1-14-11(23-16(25-14)5-2-3-6-16)15(8-19,9-20)24-12(14)18-7-4-10(21)17-13(18)22;2*1-14-11(22-15(23-14)5-2-3-6-15)9(8-18)21-12(14)17-7-4-10(19)16-13(17)20;1-10(17)7(15)5(4-13)18-8(10)12-3-2-6(14)11-9(12)16/h8,11,13-14H,4-7,9-10H2,1-3H3,(H,19,21,22);4,7,11-12,19-20H,2-3,5-6,8-9H2,1H3,(H,17,21,22);4,7,9,11-12,18H,2-3,5-6,8H2,1H3,(H,16,19,20);4,7-9,11-12H,2-3,5-6H2,1H3,(H,16,19,20);2-3,5,7-8,13,15,17H,4H2,1H3,(H,11,14,16)/t13-,14+,16+;11-,12+,14+;2*9-,11-,12-,14-;5-,7-,8-,10-/m00111/s1.

What are the key properties of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1609.65 g/mol, XLogP of -1.21, 12 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 158313391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).