N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane

C30H62N2O9 — CID 159610500

IUPACN-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane
SMILESC.C.CC(=O)NC1C(O)CCOC1C(O)C(O)CO.CC(=O)NC1COCCC1O.CC1CC1.CC1CCCCC1
InChIInChI=1S/C10H19NO6.C7H13NO3.C7H14.C4H8.2CH4/c1-5(13)11-8-6(14)2-3-17-10(8)9(16)7(15)4-12;1-5(9)8-6-4-11-3-2-7(6)10;1-7-5-3-2-4-6-7;1-4-2-3-4;;/h6-10,12,14-16H,2-4H2,1H3,(H,11,13);6-7,10H,2-4H2,1H3,(H,8,9);7H,2-6H2,1H3;4H,2-3H2,1H3;2*1H4
InChIKeyMMQBTKZXPQDNAR-UHFFFAOYSA-N
MW594.83 g/mol
LogP1.90
Rot. Bonds5

About N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane

N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane (PubChem CID 159610500) has the molecular formula C30H62N2O9 and a molecular weight of 594.83 g/mol. Its IUPAC name is N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane.

Molecular Properties

Compound NameN-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane
PubChem CID159610500
Molecular FormulaC30H62N2O9
Molecular Weight594.83 g/mol
Exact Mass594.45
IUPAC NameN-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane
SMILESC.C.CC(=O)NC1C(O)CCOC1C(O)C(O)CO.CC(=O)NC1COCCC1O.CC1CC1.CC1CCCCC1
InChIInChI=1S/C10H19NO6.C7H13NO3.C7H14.C4H8.2CH4/c1-5(13)11-8-6(14)2-3-17-10(8)9(16)7(15)4-12;1-5(9)8-6-4-11-3-2-7(6)10;1-7-5-3-2-4-6-7;1-4-2-3-4;;/h6-10,12,14-16H,2-4H2,1H3,(H,11,13);6-7,10H,2-4H2,1H3,(H,8,9);7H,2-6H2,1H3;4H,2-3H2,1H3;2*1H4
InChIKeyMMQBTKZXPQDNAR-UHFFFAOYSA-N
XLogP1.90
TPSA177.81 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.83
LogP ≤ 51.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
CID 90887662
N-[(4R,5R,6R)-2,4-dihydroxy-2-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]-1,2λ5-oxaphosphinan-5-yl]acetamide
CID 23420489
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 156618959
N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide
CID 144507621
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;hydrate
CID 68765363
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;gold
CID 174845928
(5R,6S)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 59331135

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane?
The IUPAC name of N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane (CID 159610500) is N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane.
What is the SMILES notation for N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane?
The canonical SMILES for N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane is C.C.CC(=O)NC1C(O)CCOC1C(O)C(O)CO.CC(=O)NC1COCCC1O.CC1CC1.CC1CCCCC1.
What is the InChIKey of N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane?
The InChIKey is MMQBTKZXPQDNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6.C7H13NO3.C7H14.C4H8.2CH4/c1-5(13)11-8-6(14)2-3-17-10(8)9(16)7(15)4-12;1-5(9)8-6-4-11-3-2-7(6)10;1-7-5-3-2-4-6-7;1-4-2-3-4;;/h6-10,12,14-16H,2-4H2,1H3,(H,11,13);6-7,10H,2-4H2,1H3,(H,8,9);7H,2-6H2,1H3;4H,2-3H2,1H3;2*1H4.
What are the key properties of N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane?
N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane has a molecular weight of 594.83 g/mol, XLogP of 1.90, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane is sourced from PubChem (CID 159610500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).