N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

C9H17NO6 — CID 4199029

IUPACN-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCCC(=O)NC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C9H17NO6/c1-2-5(12)10-9-8(15)7(14)6(13)4(3-11)16-9/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)
InChIKeyVZKGVACXVPMLDD-UHFFFAOYSA-N
MW235.24 g/mol
LogP-2.69
Rot. Bonds3

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

N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (PubChem CID 4199029) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
PubChem CID4199029
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC NameN-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCCC(=O)NC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C9H17NO6/c1-2-5(12)10-9-8(15)7(14)6(13)4(3-11)16-9/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)
InChIKeyVZKGVACXVPMLDD-UHFFFAOYSA-N
XLogP-2.69
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The IUPAC name of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (CID 4199029) is N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.
What is the SMILES notation for N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The canonical SMILES for N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is CCC(=O)NC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The InChIKey is VZKGVACXVPMLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c1-2-5(12)10-9-8(15)7(14)6(13)4(3-11)16-9/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12).
What are the key properties of N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide has a molecular weight of 235.24 g/mol, XLogP of -2.69, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is sourced from PubChem (CID 4199029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).