(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal

C6H15NO5Si — CID 173425363

IUPAC(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal
SMILESO=C[C@H](N[SiH3])[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO5Si/c8-1-3(7-13)5(11)6(12)4(10)2-9/h1,3-7,9-12H,2H2,13H3/t3-,4+,5+,6+/m0/s1
InChIKeyAMEYZDKKLNYYOZ-SLPGGIOYSA-N
MW209.27 g/mol
LogP-4.50
Rot. Bonds6

About (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal

(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal (PubChem CID 173425363) has the molecular formula C6H15NO5Si and a molecular weight of 209.27 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal
PubChem CID173425363
Molecular FormulaC6H15NO5Si
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal
SMILESO=C[C@H](N[SiH3])[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO5Si/c8-1-3(7-13)5(11)6(12)4(10)2-9/h1,3-7,9-12H,2H2,13H3/t3-,4+,5+,6+/m0/s1
InChIKeyAMEYZDKKLNYYOZ-SLPGGIOYSA-N
XLogP-4.50
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-4.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal
CID 124764485
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;hydrate
CID 22868018
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87346287
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
CID 57350174
2,2-dichloro-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 25174847
N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 165412826
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamate
CID 171149399
sulfuric acid;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
CID 22818655
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
methane;phosphane;[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
CID 121334059
2-fluoro-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 3081581

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal?
The IUPAC name of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal (CID 173425363) is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal is O=C[C@H](N[SiH3])[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal?
The InChIKey is AMEYZDKKLNYYOZ-SLPGGIOYSA-N. The full InChI is InChI=1S/C6H15NO5Si/c8-1-3(7-13)5(11)6(12)4(10)2-9/h1,3-7,9-12H,2H2,13H3/t3-,4+,5+,6+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal?
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal has a molecular weight of 209.27 g/mol, XLogP of -4.50, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(silylamino)hexanal is sourced from PubChem (CID 173425363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).