 Home > Encyclopedia > (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol structure

CAS No:
6227-50-5
Formula:
C18H32O16
Chemical Name:
(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:
D-Raffinose;CHEMBL1203920;delta-Raffinose;delta-(+)-Raffinose;SCHEMBL33744;CHEMBL175500;6G-alpha-delta-galactosylsucrose;BDBM50377970;MFCD00006630;AKOS016009348;AM83981;(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;6227-50-5;W-107838;b-D-Glucopyranosyl-(1->6)-a-D-glucopyranosyl-(1->2)-b-D-fructofuranoside;b-D-Fructofuranosyl O-b-D-glucopyranosyl-(1->6)-a-D-glucopyranoside, 9CI, 8CI

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(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes

Molecular Weight：

504.4 g/mol

Exact Mass：

504.16903493 g/mol

Characteristics

PSA：

269 Å²

Collision Cross Section：

218.7 Å² [M+Rb]+ [CCS Type: DT, Method: stepped-field]|229.7 Å² [M+Rb]+ [CCS Type: DT, Method: stepped-field]|210.7 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|212.7 Å² [M+K]+ [CCS Type: DT, Method: stepped-field]

Computed Properties

Molecular Weight:504.4
XLogP3:-5.8
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:504.16903493
Monoisotopic Mass:504.16903493
Topological Polar Surface Area:269
Heavy Atom Count:34
Complexity:655
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Basic Attributes
Characteristics
Computed Properties

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