E-5531

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C73H136N2O22P2
Molecular Weight	1455.8087
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC(=O)CCC\C=C/CCCCCC)[C@H]2NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OCC[C@H](O)CCCCCCC

InChI

InChIKey=GDODKYPBSZCPOO-XFMGTHRKSA-N

InChI=1S/C73H136N2O22P2/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88)/b33-30-/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C73H136N2O22P2
Molecular Weight	1455.8087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:58:28 UTC 2023` Edited by `admin` on `Sat Dec 16 13:58:28 UTC 2023`
Record UNII	4468VT5E70
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

E-5531

Code

English

.ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-((3R)-3-(((5Z)-1-OXO-5-DODECEN-1-YL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-((3R)-3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHO

Systematic Name

English

Code System Code Type Description

PUBCHEM

6442269

Created by admin on Sat Dec 16 13:58:28 UTC 2023 , Edited by admin on Sat Dec 16 13:58:28 UTC 2023

PRIMARY

DRUG BANK

DB06447

Created by admin on Sat Dec 16 13:58:28 UTC 2023 , Edited by admin on Sat Dec 16 13:58:28 UTC 2023

PRIMARY

CAS

162679-36-9

Created by admin on Sat Dec 16 13:58:28 UTC 2023 , Edited by admin on Sat Dec 16 13:58:28 UTC 2023

PRIMARY

FDA UNII

4468VT5E70

Created by admin on Sat Dec 16 13:58:28 UTC 2023 , Edited by admin on Sat Dec 16 13:58:28 UTC 2023

PRIMARY

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