(2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane

C39H58N14O8 — CID 172954720

About (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane

(2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane (PubChem CID 172954720) has the molecular formula C39H58N14O8 and a molecular weight of 850.98 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane
• PubChem CID: 172954720
• Molecular Formula: C39H58N14O8
• Molecular Weight: 850.98 g/mol
• Exact Mass: 850.46
• IUPAC Name: (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane
• SMILES: C.OC[C@H]1O[C@@H](n2cnc3c(N/N=C\C4CCCC4)nc(N/N=C\C4CCCC4)nc32)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(N/N=C\C4CCCC4)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C22H32N8O4.C16H22N6O4.CH4/c31-11-15-17(32)18(33)21(34-15)30-12-23-16-19(28-24-9-13-5-1-2-6-13)26-22(27-20(16)30)29-25-10-14-7-3-4-8-14;23-6-10-12(24)13(25)16(26-10)22-8-19-11-14(17-7-18-15(11)22)21-20-5-9-3-1-2-4-9;/h9-10,12-15,17-18,21,31-33H,1-8,11H2,(H2,26,27,28,29);5,7-10,12-13,16,23-25H,1-4,6H2,(H,17,18,21);1H4/b24-9-,25-10-;20-5-;/t15-,17-,18-,21-;10-,12-,13-,16-;/m11./s1
• InChIKey: ONGDJJIGKUUERM-IUPFNKLZSA-N
• XLogP: 2.28
• TPSA: 300.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.98
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane?

The IUPAC name of (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane (CID 172954720) is (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane.

What is the SMILES notation for (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane?

The canonical SMILES for (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane is C.OC[C@H]1O[C@@H](n2cnc3c(N/N=C\C4CCCC4)nc(N/N=C\C4CCCC4)nc32)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(N/N=C\C4CCCC4)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane?

The InChIKey is ONGDJJIGKUUERM-IUPFNKLZSA-N. The full InChI is InChI=1S/C22H32N8O4.C16H22N6O4.CH4/c31-11-15-17(32)18(33)21(34-15)30-12-23-16-19(28-24-9-13-5-1-2-6-13)26-22(27-20(16)30)29-25-10-14-7-3-4-8-14;23-6-10-12(24)13(25)16(26-10)22-8-19-11-14(17-7-18-15(11)22)21-20-5-9-3-1-2-4-9;/h9-10,12-15,17-18,21,31-33H,1-8,11H2,(H2,26,27,28,29);5,7-10,12-13,16,23-25H,1-4,6H2,(H,17,18,21);1H4/b24-9-,25-10-;20-5-;/t15-,17-,18-,21-;10-,12-,13-,16-;/m11./s1.

What are the key properties of (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane?

(2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane has a molecular weight of 850.98 g/mol, XLogP of 2.28, 13 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[6-[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;methane is sourced from PubChem (CID 172954720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).