(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol

C13H25NO12 — CID 70145762

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol
SMILESOC[C@H]1O[C@@H](C(O)[C@@]2(O)N[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H25NO12/c15-1-3-4(17)5(18)6(19)8(26-3)11(23)13(25)10(22)7(20)9(21)12(24,2-16)14-13/h3-11,14-25H,1-2H2/t3-,4-,5+,6-,7+,8-,9+,10-,11?,12-,13-/m1/s1
InChIKeyIZVZZNDVUIPLTA-VLGBKXDASA-N
MW387.34 g/mol
LogP-7.75
Rot. Bonds4

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol (PubChem CID 70145762) has the molecular formula C13H25NO12 and a molecular weight of 387.34 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol
PubChem CID70145762
Molecular FormulaC13H25NO12
Molecular Weight387.34 g/mol
Exact Mass387.14
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol
SMILESOC[C@H]1O[C@@H](C(O)[C@@]2(O)N[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H25NO12/c15-1-3-4(17)5(18)6(19)8(26-3)11(23)13(25)10(22)7(20)9(21)12(24,2-16)14-13/h3-11,14-25H,1-2H2/t3-,4-,5+,6-,7+,8-,9+,10-,11?,12-,13-/m1/s1
InChIKeyIZVZZNDVUIPLTA-VLGBKXDASA-N
XLogP-7.75
TPSA243.79 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500387.34
LogP ≤ 5-7.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxane-3,4,5-triol
CID 140595638
2-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetic acid
CID 134610723
2-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 142588205
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58060781
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
ethyl 2-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate
CID 134515281
(3R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,4,5-tetrol;(3S,4S,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;methane
CID 160866518
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(3R,4R,5S,6R)-2-[amino-(2-hydroxyphenyl)methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91330267

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol (CID 70145762) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol is OC[C@H]1O[C@@H](C(O)[C@@]2(O)N[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol?
The InChIKey is IZVZZNDVUIPLTA-VLGBKXDASA-N. The full InChI is InChI=1S/C13H25NO12/c15-1-3-4(17)5(18)6(19)8(26-3)11(23)13(25)10(22)7(20)9(21)12(24,2-16)14-13/h3-11,14-25H,1-2H2/t3-,4-,5+,6-,7+,8-,9+,10-,11?,12-,13-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol has a molecular weight of 387.34 g/mol, XLogP of -7.75, 4 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-2,3,4,5,6-pentol is sourced from PubChem (CID 70145762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).