(2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol

C12H23NO8 — CID 44559758

IUPAC(2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol
SMILESC[C@H]1O[C@H](OC[C@H]2NC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO8/c1-4-7(15)10(18)11(19)12(21-4)20-3-5-8(16)9(17)6(14)2-13-5/h4-19H,2-3H2,1H3/t4-,5-,6-,7-,8-,9-,10+,11+,12+/m1/s1
InChIKeyPESKMWOASBCMRV-JGLDSSSWSA-N
MW309.32 g/mol
LogP-4.11
Rot. Bonds3

About (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol

(2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol (PubChem CID 44559758) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol
PubChem CID44559758
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol
SMILESC[C@H]1O[C@H](OC[C@H]2NC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO8/c1-4-7(15)10(18)11(19)12(21-4)20-3-5-8(16)9(17)6(14)2-13-5/h4-19H,2-3H2,1H3/t4-,5-,6-,7-,8-,9-,10+,11+,12+/m1/s1
InChIKeyPESKMWOASBCMRV-JGLDSSSWSA-N
XLogP-4.11
TPSA151.87 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-4.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol (CID 44559758) is (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol is C[C@H]1O[C@H](OC[C@H]2NC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol?
The InChIKey is PESKMWOASBCMRV-JGLDSSSWSA-N. The full InChI is InChI=1S/C12H23NO8/c1-4-7(15)10(18)11(19)12(21-4)20-3-5-8(16)9(17)6(14)2-13-5/h4-19H,2-3H2,1H3/t4-,5-,6-,7-,8-,9-,10+,11+,12+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol?
(2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol has a molecular weight of 309.32 g/mol, XLogP of -4.11, 3 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 44559758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).