(2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid — IUPAC name, SMILES, InChIKey & properties

Name: (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid

(2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid (PubChem CID 90352496) has the molecular formula C34H61NO24 and a molecular weight of 867.84 g/mol. Its IUPAC name is (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name	(2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid
PubChem CID	90352496
Molecular Formula	C34H61NO24
Molecular Weight	867.84 g/mol
Exact Mass	867.36
IUPAC Name	(2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid
SMILES	C[C@@H]1C(O)[C@H](O)C(CO)O[C@@H]1OC1C(O)[C@H](O)[C@H]([C@@H](O)CO)O[C@@H]1O[C@@H]1C(O)[C@@H](O[C@@H]2C(O)C[C@](OCCCCCN)(C(=O)O)OC2[C@H](O)CO)OC([C@@H](O)CO)[C@H]1O
InChI	InChI=1S/C34H61NO24/c1-12-18(44)19(45)17(11-39)53-30(12)58-29-21(47)20(46)24(14(41)8-36)55-32(29)57-28-22(48)25(15(42)9-37)54-31(23(28)49)56-26-13(40)7-34(33(50)51,52-6-4-2-3-5-35)59-27(26)16(43)10-38/h12-32,36-49H,2-11,35H2,1H3,(H,50,51)/t12-,13?,14+,15+,16-,17?,18?,19-,20+,21?,22-,23?,24+,25?,26-,27?,28+,29?,30-,31-,32-,34-/m1/s1
InChIKey	RDZLZYWTMHBRID-SGEKCNDDSA-N
XLogP	-8.75
TPSA	420.38 Å²
H-Bond Donors	16
H-Bond Acceptors	24
Rotatable Bonds	20
Heavy Atoms	59
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	867.84
LogP ≤ 5	-8.75
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Analyze (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid?

The IUPAC name of (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid (CID 90352496) is (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid is C[C@@H]1C(O)[C@H](O)C(CO)O[C@@H]1OC1C(O)[C@H](O)[C@H]([C@@H](O)CO)O[C@@H]1O[C@@H]1C(O)[C@@H](O[C@@H]2C(O)C[C@](OCCCCCN)(C(=O)O)OC2[C@H](O)CO)OC([C@@H](O)CO)[C@H]1O.

What is the InChIKey of (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid?

The InChIKey is RDZLZYWTMHBRID-SGEKCNDDSA-N. The full InChI is InChI=1S/C34H61NO24/c1-12-18(44)19(45)17(11-39)53-30(12)58-29-21(47)20(46)24(14(41)8-36)55-32(29)57-28-22(48)25(15(42)9-37)54-31(23(28)49)56-26-13(40)7-34(33(50)51,52-6-4-2-3-5-35)59-27(26)16(43)10-38/h12-32,36-49H,2-11,35H2,1H3,(H,50,51)/t12-,13?,14+,15+,16-,17?,18?,19-,20+,21?,22-,23?,24+,25?,26-,27?,28+,29?,30-,31-,32-,34-/m1/s1.

What are the key properties of (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid?

Where does this data come from?

All data for (2R,5R)-2-(5-aminopentoxy)-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,4S,5R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 90352496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).