(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol

C15H30N2O10 — CID 101202399

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol
SMILESCC(CN[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H30N2O10/c1-5(17-15-13(25)11(23)9(21)7(4-19)27-15)2-16-14-12(24)10(22)8(20)6(3-18)26-14/h5-25H,2-4H2,1H3/t5?,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+/m1/s1
InChIKeyYYFAJRVMVPEWGY-URSJYOSHSA-N
MW398.41 g/mol
LogP-5.85
Rot. Bonds7

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol (PubChem CID 101202399) has the molecular formula C15H30N2O10 and a molecular weight of 398.41 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol
PubChem CID101202399
Molecular FormulaC15H30N2O10
Molecular Weight398.41 g/mol
Exact Mass398.19
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol
SMILESCC(CN[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H30N2O10/c1-5(17-15-13(25)11(23)9(21)7(4-19)27-15)2-16-14-12(24)10(22)8(20)6(3-18)26-14/h5-25H,2-4H2,1H3/t5?,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+/m1/s1
InChIKeyYYFAJRVMVPEWGY-URSJYOSHSA-N
XLogP-5.85
TPSA204.36 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500398.41
LogP ≤ 5-5.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
(3R,4S,5S,6R)-2-(2-aminododecylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69461259
(3R,4S,5S,6R)-2-(hexadecylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 21307606
(3R,4S,5R,6R)-2-(heptylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18656114
(2R)-3-methyl-3-sulfanyl-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]butanoic acid
CID 87149966
(2R,3R,4S,5R,6R)-2-[[(1R)-1-aminododecyl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69462812
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R)-3-sulfanyl-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propanamide
CID 175726634
(2S)-2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pentanedioic acid
CID 46881518
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
(2S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]butanedioic acid
CID 42597871

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol (CID 101202399) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol is CC(CN[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol?
The InChIKey is YYFAJRVMVPEWGY-URSJYOSHSA-N. The full InChI is InChI=1S/C15H30N2O10/c1-5(17-15-13(25)11(23)9(21)7(4-19)27-15)2-16-14-12(24)10(22)8(20)6(3-18)26-14/h5-25H,2-4H2,1H3/t5?,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol has a molecular weight of 398.41 g/mol, XLogP of -5.85, 7 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propylamino]oxane-3,4,5-triol is sourced from PubChem (CID 101202399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).