(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol

C7H16N2O2 — CID 163085908

IUPAC(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol
SMILESC[C@H](N)[C@@H]1CC[C@H](N)[C@@H](O)O1
InChIInChI=1S/C7H16N2O2/c1-4(8)6-3-2-5(9)7(10)11-6/h4-7,10H,2-3,8-9H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyLZZVSXDBIJCPBJ-AXMZGBSTSA-N
MW160.22 g/mol
LogP-0.84
Rot. Bonds1

About (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol

(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol (PubChem CID 163085908) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol.

Molecular Properties

Compound Name(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol
PubChem CID163085908
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol
SMILESC[C@H](N)[C@@H]1CC[C@H](N)[C@@H](O)O1
InChIInChI=1S/C7H16N2O2/c1-4(8)6-3-2-5(9)7(10)11-6/h4-7,10H,2-3,8-9H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyLZZVSXDBIJCPBJ-AXMZGBSTSA-N
XLogP-0.84
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11500041
(2S,5S)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11708844
(1S,2S,3R,4R,5S,6R)-2-amino-3-[(2S,3S,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-6-methoxy-5-(methylamino)cyclohexane-1,4-diol
CID 10427849
ethene;3-methyl-6-propan-2-yloxan-2-ol
CID 143052735
(1S,2S,3R,5S,6S)-3-amino-2-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 162879962
methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
CID 11652169
2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
CID 3050355
(2S,5S)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 11644759
(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol
CID 148861942
(2R,3R,4R,5R)-2-[(1R,2R,3R,4R,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 139025017
2-amino-N-[(1R,2S,3S,4S,5R,6R)-4-amino-3-[(2S,3S,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide
CID 162899434
(5R)-2-[(4S,6R)-4,6-diamino-3-[(2R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 174007725

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol?
The IUPAC name of (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol (CID 163085908) is (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol.
What is the SMILES notation for (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol?
The canonical SMILES for (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol is C[C@H](N)[C@@H]1CC[C@H](N)[C@@H](O)O1.
What is the InChIKey of (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol?
The InChIKey is LZZVSXDBIJCPBJ-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4(8)6-3-2-5(9)7(10)11-6/h4-7,10H,2-3,8-9H2,1H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol?
(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol has a molecular weight of 160.22 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol is sourced from PubChem (CID 163085908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).