(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol

C13H26N2O9 — CID 70695223

IUPAC(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC[C@H]1O[C@H](CO)[C@@H](N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H26N2O9/c14-1-4-8(18)10(20)7(5(2-16)23-4)15-13-12(22)11(21)9(19)6(3-17)24-13/h4-13,15-22H,1-3,14H2/t4-,5-,6-,7-,8-,9-,10-,11+,12+,13+/m1/s1
InChIKeyYODMGQDGPVKZAH-YVITULCKSA-N
MW354.36 g/mol
LogP-5.82
Rot. Bonds5

About (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 70695223) has the molecular formula C13H26N2O9 and a molecular weight of 354.36 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID70695223
Molecular FormulaC13H26N2O9
Molecular Weight354.36 g/mol
Exact Mass354.16
IUPAC Name(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC[C@H]1O[C@H](CO)[C@@H](N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H26N2O9/c14-1-4-8(18)10(20)7(5(2-16)23-4)15-13-12(22)11(21)9(19)6(3-17)24-13/h4-13,15-22H,1-3,14H2/t4-,5-,6-,7-,8-,9-,10-,11+,12+,13+/m1/s1
InChIKeyYODMGQDGPVKZAH-YVITULCKSA-N
XLogP-5.82
TPSA198.12 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500354.36
LogP ≤ 5-5.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
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
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea
CID 3035110

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 70695223) is (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol is NC[C@H]1O[C@H](CO)[C@@H](N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is YODMGQDGPVKZAH-YVITULCKSA-N. The full InChI is InChI=1S/C13H26N2O9/c14-1-4-8(18)10(20)7(5(2-16)23-4)15-13-12(22)11(21)9(19)6(3-17)24-13/h4-13,15-22H,1-3,14H2/t4-,5-,6-,7-,8-,9-,10-,11+,12+,13+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 354.36 g/mol, XLogP of -5.82, 5 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 70695223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).