2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid

C32H64O32 — CID 173346689

IUPAC2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid
SMILESO=C(O)C(C(CO)(CO)OCO)(C(OC(CO)(CO)OCO)(C(CO)(CO)OCO)C(CO)(CO)OCO)C(OC(CO)(CO)OCO)(C(CO)(CO)OCO)C(CO)(CO)OCO
InChIInChI=1S/C32H64O32/c33-1-23(2-34,56-15-47)30(22(54)55,31(24(3-35,4-36)57-16-48,25(5-37,6-38)58-17-49)63-28(11-43,12-44)61-20-52)32(26(7-39,8-40)59-18-50,27(9-41,10-42)60-19-51)64-29(13-45,14-46)62-21-53/h33-53H,1-21H2,(H,54,55)
InChIKeyHLTNBLPAJWQAAR-UHFFFAOYSA-N
MW960.83 g/mol
LogP-13.69
Rot. Bonds40

About 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid

2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid (PubChem CID 173346689) has the molecular formula C32H64O32 and a molecular weight of 960.83 g/mol. Its IUPAC name is 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid.

Molecular Properties

Compound Name2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid
PubChem CID173346689
Molecular FormulaC32H64O32
Molecular Weight960.83 g/mol
Exact Mass960.34
IUPAC Name2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid
SMILESO=C(O)C(C(CO)(CO)OCO)(C(OC(CO)(CO)OCO)(C(CO)(CO)OCO)C(CO)(CO)OCO)C(OC(CO)(CO)OCO)(C(CO)(CO)OCO)C(CO)(CO)OCO
InChIInChI=1S/C32H64O32/c33-1-23(2-34,56-15-47)30(22(54)55,31(24(3-35,4-36)57-16-48,25(5-37,6-38)58-17-49)63-28(11-43,12-44)61-20-52)32(26(7-39,8-40)59-18-50,27(9-41,10-42)60-19-51)64-29(13-45,14-46)62-21-53/h33-53H,1-21H2,(H,54,55)
InChIKeyHLTNBLPAJWQAAR-UHFFFAOYSA-N
XLogP-13.69
TPSA545.20 Ų
H-Bond Donors22
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.83
LogP ≤ 5-13.69
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid with MolForge

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Related Compounds

ethyl 3-(1,2-dihydroxyethyl)-2-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-3,4-bis(hydroxymethoxy)-4-(hydroxymethyl)pentanoate
CID 173249666
2,2-dichloro-2-(hydroxymethoxy)acetic acid
CID 166878279
2,2-dichloro-2-ethoxyacetic acid
CID 87516880
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
2-(hydroxymethoxy)-2-(hydroxymethyl)propane-1,3-diol
CID 140570889
2,2,2-tris(hydroxymethoxy)ethanol
CID 102144290
2-acetamido-2-(hydroxymethyl)propanedioic acid
CID 44720603
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
2-[3-[carboxy(dichloro)methoxy]-2-hydroxypropoxy]-2,2-dichloroacetic acid
CID 87399658
2-ethoxy-2-hydroxy-3-(hydroxymethyl)-3-methylbutanedioic acid
CID 173106065
bis(6-hydroxyhexyl) carbonate;2,2-bis(hydroxymethyl)butanoic acid
CID 159702607

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid?
The IUPAC name of 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid (CID 173346689) is 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid.
What is the SMILES notation for 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid?
The canonical SMILES for 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid is O=C(O)C(C(CO)(CO)OCO)(C(OC(CO)(CO)OCO)(C(CO)(CO)OCO)C(CO)(CO)OCO)C(OC(CO)(CO)OCO)(C(CO)(CO)OCO)C(CO)(CO)OCO.
What is the InChIKey of 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid?
The InChIKey is HLTNBLPAJWQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O32/c33-1-23(2-34,56-15-47)30(22(54)55,31(24(3-35,4-36)57-16-48,25(5-37,6-38)58-17-49)63-28(11-43,12-44)61-20-52)32(26(7-39,8-40)59-18-50,27(9-41,10-42)60-19-51)64-29(13-45,14-46)62-21-53/h33-53H,1-21H2,(H,54,55).
What are the key properties of 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid?
2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid has a molecular weight of 960.83 g/mol, XLogP of -13.69, 40 rotatable bonds, 22 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]-3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-2-[3-[1,3-dihydroxy-2-(hydroxymethoxy)propan-2-yl]oxy-1,5-dihydroxy-2,4-bis(hydroxymethoxy)-2,4-bis(hydroxymethyl)pentan-3-yl]-5-hydroxy-4-(hydroxymethoxy)-4-(hydroxymethyl)pentanoic acid is sourced from PubChem (CID 173346689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).