(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol

C14H28N2O5 — CID 163652103

IUPAC(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol
SMILESCN[C@H]1C[C@H](O[C@@H]2[C@@H](O)[C@H](NO)[C@@H](C)O[C@H]2C)OC[C@@H]1C
InChIInChI=1S/C14H28N2O5/c1-7-6-19-11(5-10(7)15-4)21-14-9(3)20-8(2)12(16-18)13(14)17/h7-18H,5-6H2,1-4H3/t7-,8+,9-,10-,11-,12+,13-,14-/m0/s1
InChIKeyINBDVCUMZJUROT-SSMUZJHLSA-N
MW304.39 g/mol
LogP-0.14
Rot. Bonds4

About (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol

(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol (PubChem CID 163652103) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol
PubChem CID163652103
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol
SMILESCN[C@H]1C[C@H](O[C@@H]2[C@@H](O)[C@H](NO)[C@@H](C)O[C@H]2C)OC[C@@H]1C
InChIInChI=1S/C14H28N2O5/c1-7-6-19-11(5-10(7)15-4)21-14-9(3)20-8(2)12(16-18)13(14)17/h7-18H,5-6H2,1-4H3/t7-,8+,9-,10-,11-,12+,13-,14-/m0/s1
InChIKeyINBDVCUMZJUROT-SSMUZJHLSA-N
XLogP-0.14
TPSA92.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(Aminomethyl)-5-(methylamino)-6-[2-(methylamino)ethoxy]oxane-3,4-diol
CID 53684739
(2S,3S,4R,5R)-5-(cyclohexylmethylamino)-2-(2-methylpropoxy)oxane-3,4-diol
CID 53703224
(2R,3R,4S,5R)-2-cyclohexyloxy-5-(2-methylpropylamino)oxane-3,4-diol
CID 54134238
[(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium
CID 58106100
[(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium
CID 58544353
(2S,4S,5R)-3-amino-2-[(3S,4S,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
CID 59080121
(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-6-ethoxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
CID 59092790
[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium
CID 59235857
2-[[6-(Hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol
CID 59336849
2-[[4-Hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol
CID 59392579
2-[5-Amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol
CID 59649144
(2S,4S,5R)-3-amino-2-[(3S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(methylamino)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxan-4-ol
CID 59924543

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol?
The IUPAC name of (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol (CID 163652103) is (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol?
The canonical SMILES for (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol is CN[C@H]1C[C@H](O[C@@H]2[C@@H](O)[C@H](NO)[C@@H](C)O[C@H]2C)OC[C@@H]1C.
What is the InChIKey of (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol?
The InChIKey is INBDVCUMZJUROT-SSMUZJHLSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-7-6-19-11(5-10(7)15-4)21-14-9(3)20-8(2)12(16-18)13(14)17/h7-18H,5-6H2,1-4H3/t7-,8+,9-,10-,11-,12+,13-,14-/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol?
(2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol has a molecular weight of 304.39 g/mol, XLogP of -0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-3-(hydroxyamino)-2,6-dimethyl-5-[(2S,4S,5R)-5-methyl-4-(methylamino)oxan-2-yl]oxyoxan-4-ol is sourced from PubChem (CID 163652103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).