(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol

C14H27NO6 — CID 163082697

IUPAC(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol
SMILESCO[C@@H]1C[C@@H](O)[C@@H](O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)[C@H](C)O1
InChIInChI=1S/C14H27NO6/c1-7-12(9(16)5-10(18-4)19-7)21-11-6-14(3,15)13(17)8(2)20-11/h7-13,16-17H,5-6,15H2,1-4H3/t7-,8-,9+,10-,11-,12-,13-,14-/m0/s1
InChIKeyZSKWGPHHNZAZRB-ABRJMIRPSA-N
MW305.37 g/mol
LogP-0.27
Rot. Bonds3

About (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol

(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol (PubChem CID 163082697) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol
PubChem CID163082697
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol
SMILESCO[C@@H]1C[C@@H](O)[C@@H](O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)[C@H](C)O1
InChIInChI=1S/C14H27NO6/c1-7-12(9(16)5-10(18-4)19-7)21-11-6-14(3,15)13(17)8(2)20-11/h7-13,16-17H,5-6,15H2,1-4H3/t7-,8-,9+,10-,11-,12-,13-,14-/m0/s1
InChIKeyZSKWGPHHNZAZRB-ABRJMIRPSA-N
XLogP-0.27
TPSA103.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2S,3S,4S,6S)-6-[(2S,3S,4S,6R)-6-[(2S,3S,4S,6R)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-nitrooxan-3-yl]oxy-2-methyloxane-3,4-diol
CID 100940842
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
CID 89339806
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436
(4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91853555
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
CID 22887274
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2R,3R,4R,6S)-6-[(2R,3R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-ol
CID 162926783
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol?
The IUPAC name of (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol (CID 163082697) is (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol?
The canonical SMILES for (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol is CO[C@@H]1C[C@@H](O)[C@@H](O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol?
The InChIKey is ZSKWGPHHNZAZRB-ABRJMIRPSA-N. The full InChI is InChI=1S/C14H27NO6/c1-7-12(9(16)5-10(18-4)19-7)21-11-6-14(3,15)13(17)8(2)20-11/h7-13,16-17H,5-6,15H2,1-4H3/t7-,8-,9+,10-,11-,12-,13-,14-/m0/s1.
What are the key properties of (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol?
(2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol has a molecular weight of 305.37 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-4-amino-6-[(2S,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]oxy-2,4-dimethyloxan-3-ol is sourced from PubChem (CID 163082697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).