(2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol

C15H30N2O8 — CID 58106101

IUPAC(2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol
SMILESCNC1[C@H](O[C@H]2C(O)C(N)[C@@H](OC)O[C@@H]2OC)OC(OC)[C@H](C)[C@@H]1O
InChIInChI=1S/C15H30N2O8/c1-6-9(18)8(17-2)14(24-12(6)20-3)23-11-10(19)7(16)13(21-4)25-15(11)22-5/h6-15,17-19H,16H2,1-5H3/t6-,7?,8?,9+,10?,11+,12?,13+,14-,15+/m1/s1
InChIKeyOYHQJYGAPZWXRV-MTADNRPLSA-N
MW366.41 g/mol
LogP-2.05
Rot. Bonds6

About (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol

(2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol (PubChem CID 58106101) has the molecular formula C15H30N2O8 and a molecular weight of 366.41 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol.

Molecular Properties

Compound Name(2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol
PubChem CID58106101
Molecular FormulaC15H30N2O8
Molecular Weight366.41 g/mol
Exact Mass366.20
IUPAC Name(2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol
SMILESCNC1[C@H](O[C@H]2C(O)C(N)[C@@H](OC)O[C@@H]2OC)OC(OC)[C@H](C)[C@@H]1O
InChIInChI=1S/C15H30N2O8/c1-6-9(18)8(17-2)14(24-12(6)20-3)23-11-10(19)7(16)13(21-4)25-15(11)22-5/h6-15,17-19H,16H2,1-5H3/t6-,7?,8?,9+,10?,11+,12?,13+,14-,15+/m1/s1
InChIKeyOYHQJYGAPZWXRV-MTADNRPLSA-N
XLogP-2.05
TPSA133.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol with MolForge

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Related Compounds

N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
CID 59547393
2-[5-amino-6-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-3-methyloxan-4-ol
CID 58030369
N-[5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 59022417
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91407540
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 90724646
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91278004
(3S,5S,6R)-5-amino-6-[(3S,5S,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 70799044
N-[(2R,4S,5S)-5-[(2S,4S,5R)-3-acetamido-5-[(2S,4S,5S)-3-amino-5-[(2S,4R,5R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 152930772
(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride
CID 53467854
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)
CID 159614309
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol?
The IUPAC name of (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol (CID 58106101) is (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol.
What is the SMILES notation for (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol?
The canonical SMILES for (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol is CNC1[C@H](O[C@H]2C(O)C(N)[C@@H](OC)O[C@@H]2OC)OC(OC)[C@H](C)[C@@H]1O.
What is the InChIKey of (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol?
The InChIKey is OYHQJYGAPZWXRV-MTADNRPLSA-N. The full InChI is InChI=1S/C15H30N2O8/c1-6-9(18)8(17-2)14(24-12(6)20-3)23-11-10(19)7(16)13(21-4)25-15(11)22-5/h6-15,17-19H,16H2,1-5H3/t6-,7?,8?,9+,10?,11+,12?,13+,14-,15+/m1/s1.
What are the key properties of (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol?
(2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol has a molecular weight of 366.41 g/mol, XLogP of -2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-[(2S,3S,6S)-5-amino-4-hydroxy-2,6-dimethoxyoxan-3-yl]oxy-6-methoxy-5-methyl-3-(methylamino)oxan-4-ol is sourced from PubChem (CID 58106101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).