(2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol

C13H25NO7 — CID 134969717

IUPAC(2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
SMILESCC1C(O)[C@@H](CO)N[C@@H]1CCC1O[C@@H](O)C(O)C(O)[C@H]1O
InChIInChI=1S/C13H25NO7/c1-5-6(14-7(4-15)9(5)16)2-3-8-10(17)11(18)12(19)13(20)21-8/h5-20H,2-4H2,1H3/t5?,6-,7-,8?,9?,10+,11?,12?,13-/m1/s1
InChIKeyDGXXTTQEWAQUDK-WQPNFSGISA-N
MW307.34 g/mol
LogP-3.10
Rot. Bonds4

About (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol

(2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol (PubChem CID 134969717) has the molecular formula C13H25NO7 and a molecular weight of 307.34 g/mol. Its IUPAC name is (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
PubChem CID134969717
Molecular FormulaC13H25NO7
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name(2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
SMILESCC1C(O)[C@@H](CO)N[C@@H]1CCC1O[C@@H](O)C(O)C(O)[C@H]1O
InChIInChI=1S/C13H25NO7/c1-5-6(14-7(4-15)9(5)16)2-3-8-10(17)11(18)12(19)13(20)21-8/h5-20H,2-4H2,1H3/t5?,6-,7-,8?,9?,10+,11?,12?,13-/m1/s1
InChIKeyDGXXTTQEWAQUDK-WQPNFSGISA-N
XLogP-3.10
TPSA142.64 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.34
LogP ≤ 5-3.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R,4S,5S,6R)-2-[[(1R,2R,5R,6R,7R,8R)-6,7-dihydroxy-1,5-bis(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72199476
(3R,4R,5S,6R)-3-(8-deuteriooctylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 141028994
(2S,3R,4S)-4-[(S)-(3,4-dihydroxypyrrolidin-2-yl)-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 44382346
(2S,4S)-4-[(S)-(3,4-dihydroxypyrrolidin-2-yl)-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 44382387
(3R,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-6-[(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]-6-methyloxane-3,4,5-triol
CID 142927778
(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol
CID 142927779
(2R,3R,5S)-5-[(2R,5S,6S)-6-(fluoromethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-6-(hydroxymethyl)oxane-3,4-diol
CID 163704780
(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 134853723
(2S)-2-[2-[(2R,5R)-2-(1,2-dihydroxyethyl)-4,5-dihydroxyoxolan-3-yl]ethyl]pyrrolidine-3,4-diol
CID 134853754
(2S,5R)-2-[[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]piperidine-3,4,5-triol
CID 134969640
(2S,5S)-2-[(R)-[(2S,5R)-2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyoxolan-3-yl]-hydroxymethyl]-6-methylpiperidine-3,4,5-triol
CID 134969642
(2S,5S)-2-[(S)-hydroxy-[(2R,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methylpiperidine-3,4,5-triol
CID 134969643

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol (CID 134969717) is (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol is CC1C(O)[C@@H](CO)N[C@@H]1CCC1O[C@@H](O)C(O)C(O)[C@H]1O.
What is the InChIKey of (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
The InChIKey is DGXXTTQEWAQUDK-WQPNFSGISA-N. The full InChI is InChI=1S/C13H25NO7/c1-5-6(14-7(4-15)9(5)16)2-3-8-10(17)11(18)12(19)13(20)21-8/h5-20H,2-4H2,1H3/t5?,6-,7-,8?,9?,10+,11?,12?,13-/m1/s1.
What are the key properties of (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol?
(2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol has a molecular weight of 307.34 g/mol, XLogP of -3.10, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-6-[2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylpyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 134969717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).