4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide

C11H20INO5 — CID 166802326

IUPAC4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide
SMILESCC(I)OC1OC(C(N)=O)C(C(C)C)C(O)C1O
InChIInChI=1S/C11H20INO5/c1-4(2)6-7(14)8(15)11(17-5(3)12)18-9(6)10(13)16/h4-9,11,14-15H,1-3H3,(H2,13,16)
InChIKeyCQRSSSPXRADAFM-UHFFFAOYSA-N
MW373.19 g/mol
LogP-0.01
Rot. Bonds4

About 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide

4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide (PubChem CID 166802326) has the molecular formula C11H20INO5 and a molecular weight of 373.19 g/mol. Its IUPAC name is 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide.

Molecular Properties

Compound Name4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide
PubChem CID166802326
Molecular FormulaC11H20INO5
Molecular Weight373.19 g/mol
Exact Mass373.04
IUPAC Name4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide
SMILESCC(I)OC1OC(C(N)=O)C(C(C)C)C(O)C1O
InChIInChI=1S/C11H20INO5/c1-4(2)6-7(14)8(15)11(17-5(3)12)18-9(6)10(13)16/h4-9,11,14-15H,1-3H3,(H2,13,16)
InChIKeyCQRSSSPXRADAFM-UHFFFAOYSA-N
XLogP-0.01
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide
CID 163647847
(3R,5S,6S)-3,4,5-trihydroxy-6-(1-hydroxypropan-2-yloxy)oxane-2-carboxamide
CID 163707465
10-amino-1-(4,5-dihydroxy-3-propan-2-yl-6-propan-2-yloxyoxan-2-yl)decan-1-one;6-(butylamino)-1-(4,5-dihydroxy-3-propan-2-yl-6-propan-2-yloxyoxan-2-yl)hexan-1-one
CID 158349815
methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate
CID 159449043
6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162993704
(2S,3S,4R,5S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylic acid;4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylic acid
CID 158242237
(2S,3S,4S,5R,6S)-4-hydroxy-3,5,6-trimethoxyoxane-2-carboxamide
CID 22215484
(3R,4S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163904294
(3S,4S,6S)-6-(1-carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163580431
(2S,3S,4S,5R,6R)-6-[(2R)-5-carbamoyloxy-4-(carbamoyloxymethyl)-4-methylpentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162991731
2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol
CID 166730220
3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid
CID 159983646

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide?
The IUPAC name of 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide (CID 166802326) is 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide.
What is the SMILES notation for 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide?
The canonical SMILES for 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide is CC(I)OC1OC(C(N)=O)C(C(C)C)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide?
The InChIKey is CQRSSSPXRADAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20INO5/c1-4(2)6-7(14)8(15)11(17-5(3)12)18-9(6)10(13)16/h4-9,11,14-15H,1-3H3,(H2,13,16).
What are the key properties of 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide?
4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide has a molecular weight of 373.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide is sourced from PubChem (CID 166802326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).