[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate

C24H45O23P — CID 91859332

About [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate

[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate (PubChem CID 91859332) has the molecular formula C24H45O23P and a molecular weight of 732.57 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate
• PubChem CID: 91859332
• Molecular Formula: C24H45O23P
• Molecular Weight: 732.57 g/mol
• Exact Mass: 732.21
• IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate
• SMILES: O=P(O)(OCC(O)CO)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O[C@H]3[C@@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C24H45O23P/c25-1-8(28)4-40-24-21(18(35)13(30)10(3-27)44-24)47-23-20(37)17(34)14(31)11(46-23)6-41-22-19(36)16(33)15(32)12(45-22)7-43-48(38,39)42-5-9(29)2-26/h8-37H,1-7H2,(H,38,39)/t8?,9?,10-,11-,12-,13-,14+,15-,16+,17+,18+,19-,20-,21-,22-,23-,24+/m1/s1
• InChIKey: CIRVGMXTMWFJEO-TTWHHUMJSA-N
• XLogP: -8.70
• TPSA: 374.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.57
LogP ≤ 5	-8.70
H-Bond Donors ≤ 5	14
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 [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate?

The IUPAC name of [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate (CID 91859332) is [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate.

What is the SMILES notation for [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate?

The canonical SMILES for [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate is O=P(O)(OCC(O)CO)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O[C@H]3[C@@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate?

The InChIKey is CIRVGMXTMWFJEO-TTWHHUMJSA-N. The full InChI is InChI=1S/C24H45O23P/c25-1-8(28)4-40-24-21(18(35)13(30)10(3-27)44-24)47-23-20(37)17(34)14(31)11(46-23)6-41-22-19(36)16(33)15(32)12(45-22)7-43-48(38,39)42-5-9(29)2-26/h8-37H,1-7H2,(H,38,39)/t8?,9?,10-,11-,12-,13-,14+,15-,16+,17+,18+,19-,20-,21-,22-,23-,24+/m1/s1.

What are the key properties of [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate?

[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate has a molecular weight of 732.57 g/mol, XLogP of -8.70, 17 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxypropyl hydrogen phosphate is sourced from PubChem (CID 91859332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).