N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide

C9H15NO5 — CID 91810431

IUPACN-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CO[C@H]([C@@H]2CO2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H15NO5/c1-4(11)10-5-2-15-9(6-3-14-6)8(13)7(5)12/h5-9,12-13H,2-3H2,1H3,(H,10,11)/t5-,6-,7+,8-,9+/m0/s1
InChIKeyDDNYYKVSFZCXNL-VRGHQRLXSA-N
MW217.22 g/mol
LogP-1.99
Rot. Bonds2

About N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide

N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide (PubChem CID 91810431) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide
PubChem CID91810431
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CO[C@H]([C@@H]2CO2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H15NO5/c1-4(11)10-5-2-15-9(6-3-14-6)8(13)7(5)12/h5-9,12-13H,2-3H2,1H3,(H,10,11)/t5-,6-,7+,8-,9+/m0/s1
InChIKeyDDNYYKVSFZCXNL-VRGHQRLXSA-N
XLogP-1.99
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide (CID 91810431) is N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide is CC(=O)N[C@H]1CO[C@H]([C@@H]2CO2)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide?
The InChIKey is DDNYYKVSFZCXNL-VRGHQRLXSA-N. The full InChI is InChI=1S/C9H15NO5/c1-4(11)10-5-2-15-9(6-3-14-6)8(13)7(5)12/h5-9,12-13H,2-3H2,1H3,(H,10,11)/t5-,6-,7+,8-,9+/m0/s1.
What are the key properties of N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide?
N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide has a molecular weight of 217.22 g/mol, XLogP of -1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S,6S)-4,5-dihydroxy-6-[(2S)-oxiran-2-yl]oxan-3-yl]acetamide is sourced from PubChem (CID 91810431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).