(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol

C12H23NO8 — CID 134853723

IUPAC(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@@H]1N[C@H](CCC2O[C@@H](O)C(O)C(O)[C@H]2O)C(O)C1O
InChIInChI=1S/C12H23NO8/c14-3-5-8(16)7(15)4(13-5)1-2-6-9(17)10(18)11(19)12(20)21-6/h4-20H,1-3H2/t4-,5+,6?,7?,8?,9+,10?,11?,12-/m1/s1
InChIKeyLKENJILJDMSQSU-PANOPNFNSA-N
MW309.32 g/mol
LogP-4.38
Rot. Bonds4

About (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol

(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol (PubChem CID 134853723) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
PubChem CID134853723
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@@H]1N[C@H](CCC2O[C@@H](O)C(O)C(O)[C@H]2O)C(O)C1O
InChIInChI=1S/C12H23NO8/c14-3-5-8(16)7(15)4(13-5)1-2-6-9(17)10(18)11(19)12(20)21-6/h4-20H,1-3H2/t4-,5+,6?,7?,8?,9+,10?,11?,12-/m1/s1
InChIKeyLKENJILJDMSQSU-PANOPNFNSA-N
XLogP-4.38
TPSA162.87 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-4.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]piperidine-3,4,5-triol
CID 10428141
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol
CID 11461899
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 101100889
(2S,3R,4S,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 90256488
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol (CID 134853723) is (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol is OC[C@@H]1N[C@H](CCC2O[C@@H](O)C(O)C(O)[C@H]2O)C(O)C1O.
What is the InChIKey of (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The InChIKey is LKENJILJDMSQSU-PANOPNFNSA-N. The full InChI is InChI=1S/C12H23NO8/c14-3-5-8(16)7(15)4(13-5)1-2-6-9(17)10(18)11(19)12(20)21-6/h4-20H,1-3H2/t4-,5+,6?,7?,8?,9+,10?,11?,12-/m1/s1.
What are the key properties of (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol has a molecular weight of 309.32 g/mol, XLogP of -4.38, 4 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 134853723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).