[(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C25H37N10O10P — CID 157190173

About [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

[(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 157190173) has the molecular formula C25H37N10O10P and a molecular weight of 668.61 g/mol. Its IUPAC name is [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

• Compound Name: [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
• PubChem CID: 157190173
• Molecular Formula: C25H37N10O10P
• Molecular Weight: 668.61 g/mol
• Exact Mass: 668.24
• IUPAC Name: [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
• SMILES: C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)nc(N)nc21.C[C@@]1(O)C(O)[C@@H](COP(O)CO)O[C@H]1n1ccc2c(N)nc(N)nc21
• InChI: InChI=1S/C13H20N5O6P.C12H17N5O4/c1-13(21)8(20)7(4-23-25(22)5-19)24-11(13)18-3-2-6-9(14)16-12(15)17-10(6)18;1-12(20)7(19)6(4-18)21-10(12)17-3-2-5-8(13)15-11(14)16-9(5)17/h2-3,7-8,11,19-22H,4-5H2,1H3,(H4,14,15,16,17);2-3,6-7,10,18-20H,4H2,1H3,(H4,13,14,15,16)/t7-,8?,11-,13-,25?;6-,7?,10-,12-/m11/s1
• InChIKey: APPJYPFWSHPOHZ-KIFHVIIDSA-N
• XLogP: -2.53
• TPSA: 334.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	668.61
LogP ≤ 5	-2.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The IUPAC name of [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 157190173) is [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

What is the SMILES notation for [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The canonical SMILES for [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1n1ccc2c(N)nc(N)nc21.C[C@@]1(O)C(O)[C@@H](COP(O)CO)O[C@H]1n1ccc2c(N)nc(N)nc21.

What is the InChIKey of [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The InChIKey is APPJYPFWSHPOHZ-KIFHVIIDSA-N. The full InChI is InChI=1S/C13H20N5O6P.C12H17N5O4/c1-13(21)8(20)7(4-23-25(22)5-19)24-11(13)18-3-2-6-9(14)16-12(15)17-10(6)18;1-12(20)7(19)6(4-18)21-10(12)17-3-2-5-8(13)15-11(14)16-9(5)17/h2-3,7-8,11,19-22H,4-5H2,1H3,(H4,14,15,16,17);2-3,6-7,10,18-20H,4H2,1H3,(H4,13,14,15,16)/t7-,8?,11-,13-,25?;6-,7?,10-,12-/m11/s1.

What are the key properties of [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

[(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 668.61 g/mol, XLogP of -2.53, 7 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(hydroxymethyl)phosphinous acid;(2R,3R,5R)-2-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 157190173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).