2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione

C9H11NO9 — CID 154680740

IUPAC2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
SMILESNC1(CO)OC(=O)CC2(O)CC(=O)OC1(O)OC2=O
InChIInChI=1S/C9H11NO9/c10-8(3-11)9(16)18-5(13)2-7(15,6(14)19-9)1-4(12)17-8/h11,15-16H,1-3,10H2
InChIKeySYCZCCSEPXMXIH-UHFFFAOYSA-N
MW277.18 g/mol
LogP-3.55
Rot. Bonds1

About 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione

2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione (PubChem CID 154680740) has the molecular formula C9H11NO9 and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione.

Molecular Properties

Compound Name2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
PubChem CID154680740
Molecular FormulaC9H11NO9
Molecular Weight277.18 g/mol
Exact Mass277.04
IUPAC Name2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
SMILESNC1(CO)OC(=O)CC2(O)CC(=O)OC1(O)OC2=O
InChIInChI=1S/C9H11NO9/c10-8(3-11)9(16)18-5(13)2-7(15,6(14)19-9)1-4(12)17-8/h11,15-16H,1-3,10H2
InChIKeySYCZCCSEPXMXIH-UHFFFAOYSA-N
XLogP-3.55
TPSA165.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 5-3.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione with MolForge

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Related Compounds

1',6,6'-trihydroxy-1-(4-hydroxybutyl)-2,2'-spirobi[3,9,10-trioxabicyclo[4.3.2]undecane]-4,4',8,8',11,11'-hexone
CID 140574800
1',6,6'-trihydroxy-1-(3-hydroxypentyl)-2,2'-spirobi[3,9,10-trioxabicyclo[4.3.2]undecane]-4,4',8,8',11,11'-hexone
CID 140574875
2,2,6-trihydroxy-1-methyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141021336
5-hydroxy-1-(trihydroxymethylamino)-2,8,9-trioxabicyclo[3.3.2]decane-3,7,10-trione
CID 139988697
5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione
CID 140574767
1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316
6-hydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-1-carbonitrile
CID 140713591
2-(chloromethyl)-4-oxooxetane-2-carboxylic acid
CID 55298280
1-hexadecyl-2,2,6-trihydroxy-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141144955
1-decyl-2,6-dihydroxy-2-octyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141301613
4,4-diaminooxolan-2-one
CID 123435745
2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
CID 139914308

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione?
The IUPAC name of 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione (CID 154680740) is 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione.
What is the SMILES notation for 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione?
The canonical SMILES for 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione is NC1(CO)OC(=O)CC2(O)CC(=O)OC1(O)OC2=O.
What is the InChIKey of 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione?
The InChIKey is SYCZCCSEPXMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO9/c10-8(3-11)9(16)18-5(13)2-7(15,6(14)19-9)1-4(12)17-8/h11,15-16H,1-3,10H2.
What are the key properties of 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione?
2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione has a molecular weight of 277.18 g/mol, XLogP of -3.55, 1 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione is sourced from PubChem (CID 154680740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).