N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide

C11H19NO5 — CID 58632787

IUPACN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide
SMILESC=CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C11H19NO5/c1-3-4-7-9(12-6(2)14)11(16)10(15)8(5-13)17-7/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9+,10+,11-/m1/s1
InChIKeyPWFYUSQMOZEDLN-SAVGLBRCSA-N
MW245.27 g/mol
LogP-1.45
Rot. Bonds4

About N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide (PubChem CID 58632787) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide
PubChem CID58632787
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide
SMILESC=CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C11H19NO5/c1-3-4-7-9(12-6(2)14)11(16)10(15)8(5-13)17-7/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9+,10+,11-/m1/s1
InChIKeyPWFYUSQMOZEDLN-SAVGLBRCSA-N
XLogP-1.45
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide (CID 58632787) is N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide is C=CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide?
The InChIKey is PWFYUSQMOZEDLN-SAVGLBRCSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-4-7-9(12-6(2)14)11(16)10(15)8(5-13)17-7/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9+,10+,11-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide has a molecular weight of 245.27 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl]acetamide is sourced from PubChem (CID 58632787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).