(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol

C14H27NO11 — CID 163186603

IUPAC(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H]([C@@H](O)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO11/c1-23-14-11(22)9(20)10(21)12(26-14)4(17)3-24-13-6(15)8(19)7(18)5(2-16)25-13/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11-,12+,13-,14-/m0/s1
InChIKeyHJAFVSGVEKWYCB-XGNBWRRZSA-N
MW385.37 g/mol
LogP-5.42
Rot. Bonds6

About (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 163186603) has the molecular formula C14H27NO11 and a molecular weight of 385.37 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
PubChem CID163186603
Molecular FormulaC14H27NO11
Molecular Weight385.37 g/mol
Exact Mass385.16
IUPAC Name(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H]([C@@H](O)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO11/c1-23-14-11(22)9(20)10(21)12(26-14)4(17)3-24-13-6(15)8(19)7(18)5(2-16)25-13/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11-,12+,13-,14-/m0/s1
InChIKeyHJAFVSGVEKWYCB-XGNBWRRZSA-N
XLogP-5.42
TPSA204.55 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500385.37
LogP ≤ 5-5.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol (CID 163186603) is (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol is CO[C@H]1O[C@H]([C@@H](O)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is HJAFVSGVEKWYCB-XGNBWRRZSA-N. The full InChI is InChI=1S/C14H27NO11/c1-23-14-11(22)9(20)10(21)12(26-14)4(17)3-24-13-6(15)8(19)7(18)5(2-16)25-13/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11-,12+,13-,14-/m0/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 385.37 g/mol, XLogP of -5.42, 6 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 163186603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).