methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate

C10H18O8 — CID 77464672

IUPACmethyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate
SMILESCOC(=O)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H18O8/c1-16-6(12)2-3-17-10-9(15)8(14)7(13)5(4-11)18-10/h5,7-11,13-15H,2-4H2,1H3
InChIKeyYXARRUOSGJHYRB-UHFFFAOYSA-N
MW266.25 g/mol
LogP-2.63
Rot. Bonds5

About methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate

methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate (PubChem CID 77464672) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate
PubChem CID77464672
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Namemethyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate
SMILESCOC(=O)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H18O8/c1-16-6(12)2-3-17-10-9(15)8(14)7(13)5(4-11)18-10/h5,7-11,13-15H,2-4H2,1H3
InChIKeyYXARRUOSGJHYRB-UHFFFAOYSA-N
XLogP-2.63
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate?
The IUPAC name of methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate (CID 77464672) is methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate.
What is the SMILES notation for methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate?
The canonical SMILES for methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate is COC(=O)CCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate?
The InChIKey is YXARRUOSGJHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O8/c1-16-6(12)2-3-17-10-9(15)8(14)7(13)5(4-11)18-10/h5,7-11,13-15H,2-4H2,1H3.
What are the key properties of methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate?
methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate has a molecular weight of 266.25 g/mol, XLogP of -2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate is sourced from PubChem (CID 77464672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).