bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane

C37H46Cl8N12O13P4 — CID 162171256

About bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane

bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane (PubChem CID 162171256) has the molecular formula C37H46Cl8N12O13P4 and a molecular weight of 1274.37 g/mol. Its IUPAC name is bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane.

Molecular Properties

• Compound Name: bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane
• PubChem CID: 162171256
• Molecular Formula: C37H46Cl8N12O13P4
• Molecular Weight: 1274.37 g/mol
• Exact Mass: 1269.98
• IUPAC Name: bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane
• SMILES: C.O=P(Cl)(Cl)CP(=O)(Cl)Cl.O=P(O)(O)CP(=O)(O)OC[C@H]1C[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O.OC[C@H]1C[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C18H22Cl2N6O8P2.C17H18Cl2N6O3.CH2Cl4O2P2.CH4/c19-11-4-2-1-3-9(11)6-21-16-13-17(23-18(20)22-16)26(25-24-13)12-5-10(14(27)15(12)28)7-34-36(32,33)8-35(29,30)31;18-10-4-2-1-3-8(10)6-20-15-12-16(22-17(19)21-15)25(24-23-12)11-5-9(7-26)13(27)14(11)28;2-8(3,6)1-9(4,5)7;/h1-4,10,12,14-15,27-28H,5-8H2,(H,32,33)(H,21,22,23)(H2,29,30,31);1-4,9,11,13-14,26-28H,5-7H2,(H,20,21,22);1H2;1H4/t10-,12-,14-,15+;9-,11-,13-,14+;;/m11../s1
• InChIKey: ZNUYYOHACBKXKJ-PPHQNDQPSA-N
• XLogP: 8.10
• TPSA: 376.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1274.37
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane?

The IUPAC name of bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane (CID 162171256) is bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane.

What is the SMILES notation for bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane?

The canonical SMILES for bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane is C.O=P(Cl)(Cl)CP(=O)(Cl)Cl.O=P(O)(O)CP(=O)(O)OC[C@H]1C[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O.OC[C@H]1C[C@@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane?

The InChIKey is ZNUYYOHACBKXKJ-PPHQNDQPSA-N. The full InChI is InChI=1S/C18H22Cl2N6O8P2.C17H18Cl2N6O3.CH2Cl4O2P2.CH4/c19-11-4-2-1-3-9(11)6-21-16-13-17(23-18(20)22-16)26(25-24-13)12-5-10(14(27)15(12)28)7-34-36(32,33)8-35(29,30)31;18-10-4-2-1-3-8(10)6-20-15-12-16(22-17(19)21-15)25(24-23-12)11-5-9(7-26)13(27)14(11)28;2-8(3,6)1-9(4,5)7;/h1-4,10,12,14-15,27-28H,5-8H2,(H,32,33)(H,21,22,23)(H2,29,30,31);1-4,9,11,13-14,26-28H,5-7H2,(H,20,21,22);1H2;1H4/t10-,12-,14-,15+;9-,11-,13-,14+;;/m11../s1.

What are the key properties of bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane?

bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane has a molecular weight of 1274.37 g/mol, XLogP of 8.10, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane is sourced from PubChem (CID 162171256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).