(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-bis(tetradecyloxy)oxan-3-ol

(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-bis(tetradecyloxy)oxan-3-ol

CAS: 1115270-63-7

Formula: C35H71NO5

SMILES: CCCCCCCCCCCCCCO[C@H]1[C@H](O)[C@@H](CN)O[C@H](OC)[C@@H]1OCCCCCCCCCCCCCC

IUPAC: (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-bis(tetradecyloxy)oxan-3-ol

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

Composition: C (71.74%), H (12.21%), N (2.39%), O (13.65%)

Molar Mass: 585.955

Atom Count: 112

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	585.53322439
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	DJVFNDPRLMVKKO-KJQSSVQNSA-N
Lipinski's Rule of Five
Molar Refractivity	171.6
Topological Polar Surface Area	83.17
Polarizability	69.38
Ring Count	1
Rotatable Bond Count	30

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