[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

C30H54O32P2 — CID 171125350

About [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 171125350) has the molecular formula C30H54O32P2 and a molecular weight of 988.68 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
• PubChem CID: 171125350
• Molecular Formula: C30H54O32P2
• Molecular Weight: 988.68 g/mol
• Exact Mass: 988.21
• IUPAC Name: [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
• SMILES: O=C[C@H](O)[C@H](O)[C@H](O)CO.O=P(O)(OC[C@H]1OC(O[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3OC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)[C@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)[C@H](O)O[C@@H]1CO
• InChI: InChI=1S/C25H44O27P2.C5H10O5/c26-1-6-11(29)14(32)22(45-6)49-23-15(33)12(30)9(47-23)5-43-54(40,41)52-20-8(3-28)46-25(18(20)36)50-24-16(34)13(31)10(48-24)4-42-53(38,39)51-19-7(2-27)44-21(37)17(19)35;6-1-3(8)5(10)4(9)2-7/h6-37H,1-5H2,(H,38,39)(H,40,41);1,3-5,7-10H,2H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23?,24?,25+;3-,4+,5-/m10/s1
• InChIKey: MWBPJWHIECAKNN-OGIXLEQVSA-N
• XLogP: -11.23
• TPSA: 516.88 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	988.68
LogP ≤ 5	-11.23
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?

The IUPAC name of [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 171125350) is [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal.

What is the SMILES notation for [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?

The canonical SMILES for [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal is O=C[C@H](O)[C@H](O)[C@H](O)CO.O=P(O)(OC[C@H]1OC(O[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3OC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)[C@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)[C@H](O)O[C@@H]1CO.

What is the InChIKey of [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?

The InChIKey is MWBPJWHIECAKNN-OGIXLEQVSA-N. The full InChI is InChI=1S/C25H44O27P2.C5H10O5/c26-1-6-11(29)14(32)22(45-6)49-23-15(33)12(30)9(47-23)5-43-54(40,41)52-20-8(3-28)46-25(18(20)36)50-24-16(34)13(31)10(48-24)4-42-53(38,39)51-19-7(2-27)44-21(37)17(19)35;6-1-3(8)5(10)4(9)2-7/h6-37H,1-5H2,(H,38,39)(H,40,41);1,3-5,7-10H,2H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23?,24?,25+;3-,4+,5-/m10/s1.

What are the key properties of [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?

[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 988.68 g/mol, XLogP of -11.23, 21 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R)-5-[(2S,3R,4S,5R)-4-[[(2R,3S,4R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 171125350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).