(2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

C17H27N4O3PS — CID 162201834

About (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (PubChem CID 162201834) has the molecular formula C17H27N4O3PS and a molecular weight of 398.47 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
• PubChem CID: 162201834
• Molecular Formula: C17H27N4O3PS
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.15
• IUPAC Name: (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
• SMILES: C=P(C)(C)CC(C)[C@H]1O[C@@H](n2c(SC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H27N4O3PS/c1-9(8-25(2,3)4)14-12(22)13(23)16(24-14)21-15-11(20-17(21)26-5)10(18)6-7-19-15/h6-7,9,12-14,16,22-23H,2,8H2,1,3-5H3,(H2,18,19)/t9?,12-,13+,14+,16+/m0/s1
• InChIKey: XOZKRDZKUDZQQN-UDWKWMFFSA-N
• XLogP: 1.70
• TPSA: 106.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (CID 162201834) is (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is C=P(C)(C)CC(C)[C@H]1O[C@@H](n2c(SC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The InChIKey is XOZKRDZKUDZQQN-UDWKWMFFSA-N. The full InChI is InChI=1S/C17H27N4O3PS/c1-9(8-25(2,3)4)14-12(22)13(23)16(24-14)21-15-11(20-17(21)26-5)10(18)6-7-19-15/h6-7,9,12-14,16,22-23H,2,8H2,1,3-5H3,(H2,18,19)/t9?,12-,13+,14+,16+/m0/s1.

What are the key properties of (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol has a molecular weight of 398.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 162201834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).