[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

C18H34NO18P — CID 11169214

About [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate (PubChem CID 11169214) has the molecular formula C18H34NO18P and a molecular weight of 583.43 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
• PubChem CID: 11169214
• Molecular Formula: C18H34NO18P
• Molecular Weight: 583.43 g/mol
• Exact Mass: 583.15
• IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
• SMILES: N[C@H]1[C@@H](OC2[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
• InChI: InChI=1S/C18H34NO18P/c19-5-7(22)15(36-18-14(29)8(23)6(21)4(35-18)2-33-38(30,31)32)3(1-20)34-17(5)37-16-12(27)10(25)9(24)11(26)13(16)28/h3-18,20-29H,1-2,19H2,(H2,30,31,32)/t3-,4-,5-,6+,7-,8+,9?,10-,11-,12-,13+,14-,15-,16?,17-,18-/m1/s1
• InChIKey: BQDIRMBTDQZCNY-OOBJMCJDSA-N
• XLogP: -8.10
• TPSA: 332.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	583.43
LogP ≤ 5	-8.10
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

The IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate (CID 11169214) is [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate is N[C@H]1[C@@H](OC2[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

The InChIKey is BQDIRMBTDQZCNY-OOBJMCJDSA-N. The full InChI is InChI=1S/C18H34NO18P/c19-5-7(22)15(36-18-14(29)8(23)6(21)4(35-18)2-33-38(30,31)32)3(1-20)34-17(5)37-16-12(27)10(25)9(24)11(26)13(16)28/h3-18,20-29H,1-2,19H2,(H2,30,31,32)/t3-,4-,5-,6+,7-,8+,9?,10-,11-,12-,13+,14-,15-,16?,17-,18-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate?

[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 583.43 g/mol, XLogP of -8.10, 8 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 11169214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).