2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H14NO7- — CID 141485849

IUPAC2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES[2H]CC(=O)N([O-])[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14NO7/c1-3(11)9(15)5-7(13)6(12)4(2-10)16-8(5)14/h4-8,10,12-14H,2H2,1H3/q-1/t4-,5-,6-,7-,8?/m1/s1/i1D
InChIKeyZRBIXEBEKCPSPC-RLRTXALLSA-N
MW237.21 g/mol
LogP-2.87
Rot. Bonds3

About 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 141485849) has the molecular formula C8H14NO7- and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID141485849
Molecular FormulaC8H14NO7-
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES[2H]CC(=O)N([O-])[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14NO7/c1-3(11)9(15)5-7(13)6(12)4(2-10)16-8(5)14/h4-8,10,12-14H,2H2,1H3/q-1/t4-,5-,6-,7-,8?/m1/s1/i1D
InChIKeyZRBIXEBEKCPSPC-RLRTXALLSA-N
XLogP-2.87
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5S,6R)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 124748068
(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 51870558
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
2-deuterio-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 87327612
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67893227
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
N-methyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradec-9-enamide
CID 141410246
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 141485849) is 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is [2H]CC(=O)N([O-])[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is ZRBIXEBEKCPSPC-RLRTXALLSA-N. The full InChI is InChI=1S/C8H14NO7/c1-3(11)9(15)5-7(13)6(12)4(2-10)16-8(5)14/h4-8,10,12-14H,2H2,1H3/q-1/t4-,5-,6-,7-,8?/m1/s1/i1D.
What are the key properties of 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 237.21 g/mol, XLogP of -2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-N-oxido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 141485849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).