N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide

C8H15NO5 — CID 90659216

IUPACN-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1C
InChIInChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1
InChIKeyLMIZXKMXHCOVTQ-PCRKCNGPSA-N
MW205.21 g/mol
LogP-2.05
Rot. Bonds1

About N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide

N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide (PubChem CID 90659216) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide
PubChem CID90659216
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1C
InChIInChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1
InChIKeyLMIZXKMXHCOVTQ-PCRKCNGPSA-N
XLogP-2.05
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide (CID 90659216) is N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1C.
What is the InChIKey of N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide?
The InChIKey is LMIZXKMXHCOVTQ-PCRKCNGPSA-N. The full InChI is InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1.
What are the key properties of N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide?
N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide has a molecular weight of 205.21 g/mol, XLogP of -2.05, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S,5S,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide is sourced from PubChem (CID 90659216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).