[(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate

C68H95Cl10N19O22P4 — CID 159173115

About [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate

[(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate (PubChem CID 159173115) has the molecular formula C68H95Cl10N19O22P4 and a molecular weight of 2009.04 g/mol. Its IUPAC name is [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate.

Molecular Properties

• Compound Name: [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
• PubChem CID: 159173115
• Molecular Formula: C68H95Cl10N19O22P4
• Molecular Weight: 2009.04 g/mol
• Exact Mass: 2003.27
• IUPAC Name: [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
• SMILES: CC[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CC[C@H]1O[C@@H](n2ncc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1C.Clc1nc(Cl)c2cn[nH]c2n1.NC1CCCC1.O=P(Cl)(Cl)CP(=O)(Cl)Cl.O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C16H24ClN5O9P2.C15H20ClN5O4.C14H16Cl2N4O3.C12H20O4.C5H2Cl2N4.C5H11N.CH2Cl4O2P2/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(31-15)6-30-33(28,29)7-32(25,26)27;16-15-19-12(18-7-3-1-2-4-7)8-5-17-21(13(8)20-15)14-11(24)10(23)9(6-22)25-14;1-4-9-6(2)10(22-7(3)21)13(23-9)20-12-8(5-17-20)11(15)18-14(16)19-12;1-5-10-6-11(15-8(3)13)12(7(10)2)16-9(4)14;6-3-2-1-8-11-4(2)10-5(7)9-3;6-5-3-1-2-4-5;2-8(3,6)1-9(4,5)7/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,28,29)(H,19,20,21)(H2,25,26,27);5,7,9-11,14,22-24H,1-4,6H2,(H,18,19,20);5-6,9-10,13H,4H2,1-3H3;7,10-12H,5-6H2,1-4H3;1H,(H,8,9,10,11);5H,1-4,6H2;1H2/t10-,11-,12-,15-;9-,10-,11-,14-;6-,9-,10-,13-;7-,10+,11-,12-;;;/m1111.../s1
• InChIKey: KLYBAZLGCVPVDZ-GMMOXYGUSA-N
• XLogP: 12.99
• TPSA: 581.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.04
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate?

The IUPAC name of [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate (CID 159173115) is [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate.

What is the SMILES notation for [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate?

The canonical SMILES for [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate is CC[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CC[C@H]1O[C@@H](n2ncc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1C.Clc1nc(Cl)c2cn[nH]c2n1.NC1CCCC1.O=P(Cl)(Cl)CP(=O)(Cl)Cl.O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate?

The InChIKey is KLYBAZLGCVPVDZ-GMMOXYGUSA-N. The full InChI is InChI=1S/C16H24ClN5O9P2.C15H20ClN5O4.C14H16Cl2N4O3.C12H20O4.C5H2Cl2N4.C5H11N.CH2Cl4O2P2/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(31-15)6-30-33(28,29)7-32(25,26)27;16-15-19-12(18-7-3-1-2-4-7)8-5-17-21(13(8)20-15)14-11(24)10(23)9(6-22)25-14;1-4-9-6(2)10(22-7(3)21)13(23-9)20-12-8(5-17-20)11(15)18-14(16)19-12;1-5-10-6-11(15-8(3)13)12(7(10)2)16-9(4)14;6-3-2-1-8-11-4(2)10-5(7)9-3;6-5-3-1-2-4-5;2-8(3,6)1-9(4,5)7/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,28,29)(H,19,20,21)(H2,25,26,27);5,7,9-11,14,22-24H,1-4,6H2,(H,18,19,20);5-6,9-10,13H,4H2,1-3H3;7,10-12H,5-6H2,1-4H3;1H,(H,8,9,10,11);5H,1-4,6H2;1H2/t10-,11-,12-,15-;9-,10-,11-,14-;6-,9-,10-,13-;7-,10+,11-,12-;;;/m1111.../s1.

What are the key properties of [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate?

[(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate has a molecular weight of 2009.04 g/mol, XLogP of 12.99, 20 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R,4S)-2-acetyloxy-4-ethyl-3-methylcyclopentyl] acetate;bis(dichlorophosphoryl)methane;[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(2R,3R,4S,5R)-2-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol;cyclopentanamine;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine;[(2R,3R,4R,5R)-2-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate is sourced from PubChem (CID 159173115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).