bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate

C103H124N12O21 — CID 158014827

About bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate

bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate (PubChem CID 158014827) has the molecular formula C103H124N12O21 and a molecular weight of 1866.19 g/mol. Its IUPAC name is bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate.

Molecular Properties

• Compound Name: bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate
• PubChem CID: 158014827
• Molecular Formula: C103H124N12O21
• Molecular Weight: 1866.19 g/mol
• Exact Mass: 1864.90
• IUPAC Name: bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate
• SMILES: CC[C@H]1C[C@@H](C2=CCc3c2nc[nH]c3=O)[C@H](OC(C)=O)[C@H]1C.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](OCc2ccc(OC)cc2)[C@@H]1O.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](OCc2ccc(OC)cc2)[C@H]1O.O=c1[nH]cnc2c1CC=C2[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O.O=c1[nH]cnc2c1CC=C2[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O
• InChI: InChI=1S/2C30H35N3O5.C17H22N2O3.2C13H16N2O4/c2*1-4-22-14-24(29(28(22)34)38-17-21-10-12-23(35-2)13-11-21)25-15-33(19-37-16-20-8-6-5-7-9-20)27-26(25)31-18-32-30(27)36-3;1-4-11-7-14(16(9(11)2)22-10(3)20)12-5-6-13-15(12)18-8-19-17(13)21;2*16-4-6-3-9(12(18)11(6)17)7-1-2-8-10(7)14-5-15-13(8)19/h2*5-13,15,18,22,24,28-29,34H,4,14,16-17,19H2,1-3H3;5,8-9,11,14,16H,4,6-7H2,1-3H3,(H,18,19,21);2*1,5-6,9,11-12,16-18H,2-4H2,(H,14,15,19)/t22-,24-,28+,29-;22-,24-,28-,29-;9-,11-,14-,16+;2*6-,9+,11+,12+/m00011/s1
• InChIKey: FFIDOIVQHQBFFJ-WRFBZTPRSA-N
• XLogP: 10.61
• TPSA: 460.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1866.19
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate?

The IUPAC name of bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate (CID 158014827) is bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate.

What is the SMILES notation for bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate?

The canonical SMILES for bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate is CC[C@H]1C[C@@H](C2=CCc3c2nc[nH]c3=O)[C@H](OC(C)=O)[C@H]1C.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](OCc2ccc(OC)cc2)[C@@H]1O.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](OCc2ccc(OC)cc2)[C@H]1O.O=c1[nH]cnc2c1CC=C2[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O.O=c1[nH]cnc2c1CC=C2[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O.

What is the InChIKey of bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate?

The InChIKey is FFIDOIVQHQBFFJ-WRFBZTPRSA-N. The full InChI is InChI=1S/2C30H35N3O5.C17H22N2O3.2C13H16N2O4/c2*1-4-22-14-24(29(28(22)34)38-17-21-10-12-23(35-2)13-11-21)25-15-33(19-37-16-20-8-6-5-7-9-20)27-26(25)31-18-32-30(27)36-3;1-4-11-7-14(16(9(11)2)22-10(3)20)12-5-6-13-15(12)18-8-19-17(13)21;2*16-4-6-3-9(12(18)11(6)17)7-1-2-8-10(7)14-5-15-13(8)19/h2*5-13,15,18,22,24,28-29,34H,4,14,16-17,19H2,1-3H3;5,8-9,11,14,16H,4,6-7H2,1-3H3,(H,18,19,21);2*1,5-6,9,11-12,16-18H,2-4H2,(H,14,15,19)/t22-,24-,28+,29-;22-,24-,28-,29-;9-,11-,14-,16+;2*6-,9+,11+,12+/m00011/s1.

What are the key properties of bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate?

bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate has a molecular weight of 1866.19 g/mol, XLogP of 10.61, 29 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate is sourced from PubChem (CID 158014827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).