(2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

C18H33NO15 — CID 121434141

IUPAC(2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
SMILESN[C@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H33NO15/c19-5(1-20)9(24)16(34-18-15(30)13(28)11(26)8(3-22)33-18)6(23)4-31-17-14(29)12(27)10(25)7(2-21)32-17/h1,5-18,21-30H,2-4,19H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14-,15-,16-,17+,18+/m1/s1
InChIKeyVEHSIOMQCXGIAI-YRNRNSMXSA-N
MW503.45 g/mol
LogP-7.76
Rot. Bonds11

About (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

(2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal (PubChem CID 121434141) has the molecular formula C18H33NO15 and a molecular weight of 503.45 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
PubChem CID121434141
Molecular FormulaC18H33NO15
Molecular Weight503.45 g/mol
Exact Mass503.19
IUPAC Name(2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
SMILESN[C@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H33NO15/c19-5(1-20)9(24)16(34-18-15(30)13(28)11(26)8(3-22)33-18)6(23)4-31-17-14(29)12(27)10(25)7(2-21)32-17/h1,5-18,21-30H,2-4,19H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14-,15-,16-,17+,18+/m1/s1
InChIKeyVEHSIOMQCXGIAI-YRNRNSMXSA-N
XLogP-7.76
TPSA282.31 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500503.45
LogP ≤ 5-7.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal?
The IUPAC name of (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal (CID 121434141) is (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal.
What is the SMILES notation for (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal?
The canonical SMILES for (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal is N[C@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal?
The InChIKey is VEHSIOMQCXGIAI-YRNRNSMXSA-N. The full InChI is InChI=1S/C18H33NO15/c19-5(1-20)9(24)16(34-18-15(30)13(28)11(26)8(3-22)33-18)6(23)4-31-17-14(29)12(27)10(25)7(2-21)32-17/h1,5-18,21-30H,2-4,19H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14-,15-,16-,17+,18+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal?
(2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal has a molecular weight of 503.45 g/mol, XLogP of -7.76, 11 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-amino-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal is sourced from PubChem (CID 121434141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).