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IAXO-102

CAT: 0607-BA6296-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6296-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1115270-63-7
Form
A solid
Molecular Formula
C35H71NO5
Molecular Weight
585.94
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
CAS Number1115270-63-7
PubChem CID25222900
IUPAC Name(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
Molecular FormulaC35H71NO5
Molecular Weight585.9
XLogP12.1
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count30
Heavy Atom Count41
Formal Charge0
Complexity537
SMILES
CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCCCCCCCCCCCCC)OC)CN)O
InChI
InChI=1S/C35H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-39-33-32(37)31(30-36)41-35(38-3)34(33)40-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h31-35,37H,4-30,36H2,1-3H3/t31-,32-,33+,34-,35+/m1/s1
InChIKey
DJVFNDPRLMVKKO-KJQSSVQNSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
CAS: 1115270-63-7
CID: 25222900
Formula: C35H71NO5
MW: 585.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight585.9
XLogP312.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count30
Exact Mass585.53322437
Monoisotopic Mass585.53322437
Topological Polar Surface Area83.2 Ų
Heavy Atom Count41
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes