Sucrose, 1-stearate

HCID 9898327CAS 136152-91-5
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기본 정보

표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
SZYSLWCAWVWFLT-UTGHZIEOSA-N
분자식
C30H56O12
평균 분자량
608.8 g/mol
단동위원소 질량
608.37717723

이름 및 식별자

우선 이름
Sucrose, 1-stearate
IUPAC
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate

이름 및 동의어

Sucrose, 1-stearate58RP7JU52K136152-91-5alpha-D-Glucopyranoside, 1-O-(1-oxooctadecyl)-beta-d-fructofuranosylDTXSID60159700RefChem:186422DTXCID6082191UNII-58RP7JU52KSucrose stearate - 70% monostearateMFCD00152822((2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2-yl)methyl stearate1-stearatesucrose
이름 더 보기
[(2S,3S,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)-2-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXOLAN-2-YL]METHYL OCTADECANOATESZYSLWCAWVWFLT-USCHEMBL162541-O-Octadecanoyl-beta-D-fructofuranosyl alpha-D-glucopyranosideOS09352OS15187[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoateSucrose stearate - 25-33% monostearate

데이터베이스 식별자

CAS
136152-91-5
PubChem CID
9898327
DTXSID
DTXSID60159700
UNII
58RP7JU52K
Nikkaji
J362.711J

물성

구조 계산 물성

XLogP
4.7
극성 표면적
196 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
12
회전 가능 결합 수
23
무거운 원자 수
42

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