[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol

C23H37N5O20P2-2 — CID 160736324

About [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol

[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol (PubChem CID 160736324) has the molecular formula C23H37N5O20P2-2 and a molecular weight of 765.51 g/mol. Its IUPAC name is [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
• PubChem CID: 160736324
• Molecular Formula: C23H37N5O20P2-2
• Molecular Weight: 765.51 g/mol
• Exact Mass: 765.15
• IUPAC Name: [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
• SMILES: CC1OC(CO)[C@@H](O)[C@H](O)[C@H]1O.CC1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C16H25N5O15P2.C7H14O5/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27;1-3-5(9)7(11)6(10)4(2-8)12-3/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27);3-11H,2H2,1H3/p-2/t4?,5-,7-,8+,9+,10?,11?,14-,15-;3?,4?,5-,6+,7+/m10/s1
• InChIKey: RUZPIKQMNBSCGM-IQSVFNFNSA-L
• XLogP: -7.02
• TPSA: 407.30 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	765.51
LogP ≤ 5	-7.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

The IUPAC name of [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol (CID 160736324) is [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol.

What is the SMILES notation for [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

The canonical SMILES for [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol is CC1OC(CO)[C@@H](O)[C@H](O)[C@H]1O.CC1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O.

What is the InChIKey of [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

The InChIKey is RUZPIKQMNBSCGM-IQSVFNFNSA-L. The full InChI is InChI=1S/C16H25N5O15P2.C7H14O5/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27;1-3-5(9)7(11)6(10)4(2-8)12-3/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27);3-11H,2H2,1H3/p-2/t4?,5-,7-,8+,9+,10?,11?,14-,15-;3?,4?,5-,6+,7+/m10/s1.

What are the key properties of [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol has a molecular weight of 765.51 g/mol, XLogP of -7.02, 9 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate;(3S,4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 160736324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).