(2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C12H23NO10 — CID 57204479

IUPAC(2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNC([C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)[C@]1(O)[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO10/c13-9(8-7(18)5(16)3(15)2-22-8)12(21)10(19)6(17)4(1-14)23-11(12)20/h3-11,14-21H,1-2,13H2/t3-,4+,5+,6+,7-,8-,9?,10-,11-,12+/m0/s1
InChIKeyVXWLSGHPCTXBKX-DQPOFYIGSA-N
MW341.31 g/mol
LogP-6.04
Rot. Bonds3

About (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 57204479) has the molecular formula C12H23NO10 and a molecular weight of 341.31 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID57204479
Molecular FormulaC12H23NO10
Molecular Weight341.31 g/mol
Exact Mass341.13
IUPAC Name(2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNC([C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)[C@]1(O)[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO10/c13-9(8-7(18)5(16)3(15)2-22-8)12(21)10(19)6(17)4(1-14)23-11(12)20/h3-11,14-21H,1-2,13H2/t3-,4+,5+,6+,7-,8-,9?,10-,11-,12+/m0/s1
InChIKeyVXWLSGHPCTXBKX-DQPOFYIGSA-N
XLogP-6.04
TPSA206.32 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500341.31
LogP ≤ 5-6.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
3-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]butanoic acid
CID 155796830
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3S,4S,5S,6R)-3-[(3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57109141
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91278110
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(2S,3S,4S,5S,6R)-3-[(3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57269400
(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 57204479) is (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is NC([C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)[C@]1(O)[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is VXWLSGHPCTXBKX-DQPOFYIGSA-N. The full InChI is InChI=1S/C12H23NO10/c13-9(8-7(18)5(16)3(15)2-22-8)12(21)10(19)6(17)4(1-14)23-11(12)20/h3-11,14-21H,1-2,13H2/t3-,4+,5+,6+,7-,8-,9?,10-,11-,12+/m0/s1.
What are the key properties of (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 341.31 g/mol, XLogP of -6.04, 3 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-3-[amino-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57204479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).