[(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine

C67H93Cl10N19O23P4 — CID 160674483

About [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine

[(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 160674483) has the molecular formula C67H93Cl10N19O23P4 and a molecular weight of 2011.02 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

• Compound Name: [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine
• PubChem CID: 160674483
• Molecular Formula: C67H93Cl10N19O23P4
• Molecular Weight: 2011.02 g/mol
• Exact Mass: 2005.25
• IUPAC Name: [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine
• SMILES: CC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(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](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C16H24ClN5O9P2.C15H20ClN5O4.C14H16Cl2N4O3.C11H18O5.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)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14;1-4-8-6(2)10(22-7(3)21)13(23-8)20-5-17-9-11(15)18-14(16)19-12(9)20;1-5-9-6(2)10(14-7(3)12)11(16-9)15-8(4)13;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);6-8,10-11,14,22-24H,1-5H2,(H,18,19,20);5-6,8,10,13H,4H2,1-3H3;6,9-11H,5H2,1-4H3;1H,(H,8,9,10,11);5H,1-4,6H2;1H2/t10-,11-,12-,15-;8-,10-,11-,14-;6-,8-,10-,13-;6-,9-,10-,11-;;;/m1111.../s1
• InChIKey: RNIYMEVTBCVGEC-NOKHBYPCSA-N
• XLogP: 12.33
• TPSA: 590.51 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.02
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

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 [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?

The IUPAC name of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine (CID 160674483) is [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine.

What is the SMILES notation for [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?

The canonical SMILES for [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine is CC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(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](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?

The InChIKey is RNIYMEVTBCVGEC-NOKHBYPCSA-N. The full InChI is InChI=1S/C16H24ClN5O9P2.C15H20ClN5O4.C14H16Cl2N4O3.C11H18O5.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)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14;1-4-8-6(2)10(22-7(3)21)13(23-8)20-5-17-9-11(15)18-14(16)19-12(9)20;1-5-9-6(2)10(14-7(3)12)11(16-9)15-8(4)13;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);6-8,10-11,14,22-24H,1-5H2,(H,18,19,20);5-6,8,10,13H,4H2,1-3H3;6,9-11H,5H2,1-4H3;1H,(H,8,9,10,11);5H,1-4,6H2;1H2/t10-,11-,12-,15-;8-,10-,11-,14-;6-,8-,10-,13-;6-,9-,10-,11-;;;/m1111.../s1.

What are the key properties of [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?

[(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 2011.02 g/mol, XLogP of 12.33, 20 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5R)-2-acetyloxy-5-ethyl-4-methyloxolan-3-yl] acetate;bis(dichlorophosphoryl)methane;(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[[(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;cyclopentanamine;[(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate;4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 160674483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).