(1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol

C14H27NO9 — CID 46232639

IUPAC(1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H27NO9/c1-23-14-4(8(17)11(20)12(21)13(14)22)2-5-7(15)10(19)9(18)6(3-16)24-5/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6-,7+,8-,9+,10-,11-,12+,13+,14+/m1/s1
InChIKeyGZLMQRPVDRUIAA-DJSKTMOFSA-N
MW353.37 g/mol
LogP-4.73
Rot. Bonds4

About (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol

(1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol (PubChem CID 46232639) has the molecular formula C14H27NO9 and a molecular weight of 353.37 g/mol. Its IUPAC name is (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol
PubChem CID46232639
Molecular FormulaC14H27NO9
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name(1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H27NO9/c1-23-14-4(8(17)11(20)12(21)13(14)22)2-5-7(15)10(19)9(18)6(3-16)24-5/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6-,7+,8-,9+,10-,11-,12+,13+,14+/m1/s1
InChIKeyGZLMQRPVDRUIAA-DJSKTMOFSA-N
XLogP-4.73
TPSA186.09 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 5-4.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol (CID 46232639) is (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol is CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol?
The InChIKey is GZLMQRPVDRUIAA-DJSKTMOFSA-N. The full InChI is InChI=1S/C14H27NO9/c1-23-14-4(8(17)11(20)12(21)13(14)22)2-5-7(15)10(19)9(18)6(3-16)24-5/h4-14,16-22H,2-3,15H2,1H3/t4-,5+,6-,7+,8-,9+,10-,11-,12+,13+,14+/m1/s1.
What are the key properties of (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol?
(1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol has a molecular weight of 353.37 g/mol, XLogP of -4.73, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-6-methoxycyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 46232639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).